(******************************************************************* This file was generated automatically by the Mathematica front end. It contains Initialization cells from a Notebook file, which typically will have the same name as this file except ending in ".nb" instead of ".m". This file is intended to be loaded into the Mathematica kernel using the package loading commands Get or Needs. Doing so is equivalent to using the Evaluate Initialization Cells menu command in the front end. DO NOT EDIT THIS FILE. This entire file is regenerated automatically each time the parent Notebook file is saved in the Mathematica front end. Any changes you make to this file will be overwritten. ***********************************************************************) BeginPackage["BiochemThermo`BasicBiochemData3`"]; calcdGmat::usage="calcdGmat[species_] produces the function of pH and ionic strength (is) that gives the standard transformed Gibbs energy of formation of a reactant (sum of species) at 298.15 K. The input speciesmat is a matrix that gives the standard Gibbs energy of formation, the standard enthalpy of formation, the electric charge, and the number of hydrogen atoms in each species. There is a row in the matrix for each species of the reactant. gpfnsp is a list of the functions for the species. Energies are expressed in kJ mol^-1."; calcNHmat::usage="calcNHmat[speciesmat_] produces the function of pH and ionic strength (is) that gives the average number of hydrogen atoms in a reactant (sum of species) at 298.15 K. The input speciesmat is a matrix that gives the standard Gibbs energy of formation, the standard enthalpy of formation, the electric charge, and the number of hydrogen atoms in each species. There is a row in the matrix for each species of the reactant. gpfnsp is a list of the functions for the species."; derivetrGibbsT::usage="derivetrGibbsT[speciesmat_] derives the function of T (in Kelvin), pH, and ionic strength (is) that gives the standard transformed Gibbs energy of formation of a reactant (sum of species). The input speciesmat is a matrix that gives the standard Gibbs energy of formation in kJ mol^-1 at 298.15 K and zero ionic strength, the standard enthalpy of formation in kJ mol^-1 at 298.15 K and zero ionic strength, the electric charge, and the number of hydrogen atoms in each species. There is a row in the matrix for each species of the reactant. gpfnsp is a list of the functions for the standard transformed Gibbs energies of the species. The corresponding functions for other transformed properties can be obtained by taking partial derivatives. The standard transformed Gibbs energy of formation of a reactant in kJ mol^-1 can be calculated at any temperature in the range 273.15 K to 313.15 K, any pH in the range 5 to 9, and any ionic strength in the range 0 to 0.35 M by use of ReplaceAll (/.)."; derivetrHT::usage="derivetrHT[speciesmat_] derives the function of T (in Kelvin), pH, and ionic strength (is) that gives the standard transformed enthalpy of formation of a reactant (sum of species). The input speciesmat is a matrix that gives the standard Gibbs energy of formation in kJ mol^-1 at 298.15 K and zero ionic strength, the standard enthalpy of formation in kJ mol^-1 at 298.15 K and zero ionic strength, the electric charge, and the number of hydrogen atoms in each species. There is a row in the matrix for each species of the reactant. gpfnsp is a list of the functions for the standard transformed Gibbs energies of the species. This program applies the Gibbs-Helmholtz equation to the function for the standard transformed Gibbs energy of formation of a reactant. The standard transformed enthalpy of formation of a reactant in kJ mol^-1 can be calculated at any temperature in the range 273.15 K to 313.15 K, any pH in the range 5 to 9, and any ionic strength in the range 0 to 0.35 M by use of ReplaceAll (/.)."; derivetrST::usage="derivetrST[speciesmat_] derives the function of T (in Kelvin), pH, and ionic strength (is) that gives the stndard transformed entropy of formation of a reactant (sum of species). The input speciesmat is a matrix that gives the standard Gibbs energy of formation in kJ mol^-1 at 298.15 K and zero ionic strength, the standard enthalpy of formation in kJ mol^-1 at 298.15 K and zero ionic strength, the electric charge, and the number of hydrogen atoms in each species. There is a row in the matrix for each species of the reactant. gpfnsp is a list of the functions for the standard transformed Gibbs energies of the species. This program applies the equation for the entropy to the function for the standard transformed Gibbs energy of formation of a reactant. The standard transformed entropy of formation of a reactant in kJ K^-1 mol^-1 can be calculated at any temperature in the range 273.15 K to 313.15 K, any pH in the range 5 to 9, and any ionic strength in the range 0 to 0.35 M by use of ReplaceAll (/.)."; deriveNHT::usage="deriveNHT[speciesmat_] derives the function of T (in Kelvin), pH, and ionic strength (is) that gives the average number of hydrogen atoms in a reactant (sum of species). The input speciesmat is a matrix that gives the standard Gibbs energy of formation in kJ mol^-1 at 298.15 K and zero ionic strength, the standard enthalpy of formation in kJ mol^-1 at 298.15 K and zero ionic strength, the electric charge, and the number of hydrogen atoms in each species. There is a row in the matrix for each species of the reactant. gpfnsp is a list of the functions for the standard transformed Gibbs energies of the species. The average number can be calculated at any temperature in the range 273.15 K to 313.15 K, any pH in the range 5 to 9, and any ionic strength in the range 0 to 0.35 M by use of ReplaceAll (/.)."; Remove [acetaldehydesp,acetatesp,acetoacetatesp,acetoacetylcoAsp,acetonesp, acetylcoAsp,acetylphossp,aconitatecissp,adeninesp,adenosinesp, adenosinephosphosulfatesp,adpsp,alaninesp,ammoniasp,ampsp,arabinosesp, arabinose5phossp,asparagineLsp,aspartatesp,atpsp,bpgsp,butanalsp,butanolnsp, butyratesp,cellobiosesp,citratesp,citrateisosp,co2gsp,co2totsp,coAsp, coAglutathionesp,coaqsp,cogsp,creatinesp,creatininesp,cyclicampsp,cysteineLsp, cystineLsp,cytochromecoxsp,cytochromecredsp,deoxyadenosinesp,deoxyadpsp, deoxyampsp,deoxyatpsp,deoxyribosesp,deoxyribose1phossp,deoxyribose5phossp, dihydroxyacetonesp,dihydroxyacetonephossp,ethaneaqsp,ethanolsp, ethylacetatesp,fadenzoxsp,fadenzredsp,fadoxsp,fadredsp,ferredoxinoxsp, ferredoxinredsp,ferricsp,ferroussp,fmnoxsp,fmnredsp,formatesp,fructosesp, fructose16phossp,fructose6phossp,fumaratesp,galactono14lactonesp, galactosesp,galactose1phossp,galactose6phossp,gluconolactonesp, gluconolactone6phossp,glucosesp,glucose1phossp,glucose6phossp,glutamatesp, glutaminesp,glutathioneoxsp,glutathioneredsp,glyceraldehydesp, glyceraldehydephossp,glyceratesp,glycerolsp,glycerol3phossp,glycinesp, glycolatesp,glycylglycinesp,glyoxylatesp,h2aqsp,h2gsp,h2osp,h2o2aqsp, h2saqsp,hydroxy2oxoglutaratesp,hydroxyglutaratesp,hydroxypropionatebsp, hydroxypyruvatesp,hypoxanthinesp,i2crsp,iditolsp,idpsp,impsp,indolesp, inosinesp,iodideionsp,isomaltosesp,itpsp,ketoglutaramatesp,ketoglutaratesp, lactatesp,lactosesp,lactulosesp,leucineisoLsp,leucineLsp,lyxosesp,malatesp, maleatesp,maltosesp,malylcoAsp,mannitol1phossp,mannitolDsp,mannosesp, mannose1phossp,mannose6phossp,methaneaqsp,methanegsp,methanolsp,methionineLsp, methyl2oxopentanoatesp,methylmalatesp,methylmaleatesp,methylmalonylcoAsp, n2aqsp,n2gsp,n2oaqsp,nadoxsp,nadpoxsp,nadpredsp,nadredsp, nicotinamideribonucleotidesp,nitratesp,nitritesp,noaqsp,o2aqsp,o2gsp, oxalatesp,oxaloacetatesp,oxalosuccinatesp,oxalylcoAsp,oxoprolinesp, palmitatesp,pepsp,phenylalanineLsp,phosphoglycerate2sp,phosphoglycerate3sp, phosphohydroxypyruvatesp,phosphoserinesp,pisp,ppisp,propanol2sp,propanolnsp, propanoylcoAsp,prppsp,pyruvatesp,retinalsp,retinolsp,ribitolsp,ribosesp, ribose1phossp,ribose5phossp,ribulosesp,ribulose5phossp,serineLsp,sorbitolsp, sorbitol6phossp,sorbosesp,succinatesp,succinylcoAsp,sucrosesp,sulfatesp, sulfitesp,sulfurcrsp,thioredoxinoxsp,thioredoxinredsp,threoninesp, transcinnamatesp,trehalosesp,tryptophanLsp,tyrosineLsp,ubiquinoneoxsp, ubiquinoneredsp,uratesp,ureasp,uricacidsp,valineLsp,xylitolsp,xylosesp, xylulosesp] Remove[acetaldehyde,acetate,acetoacetate,acetoacetylcoA,acetone,acetylcoA, acetylphos,aconitatecis,adenine,adenosine,adenosinephosphosulfate,adp, alanine,ammonia,amp,arabinose,arabinose5phos,asparagineL,aspartate,atp,bpg, butanal,butanoln,butyrate,cellobiose,citrate,citrateiso,co2g,co2tot,coA, coAglutathione,coaq,cog,creatine,creatinine,cyclicamp,cysteineL,cystineL, cytochromecox,cytochromecred,deoxyadenosine,deoxyadp,deoxyamp,deoxyatp, deoxyribose,deoxyribose1phos,deoxyribose5phos,dihydroxyacetone, dihydroxyacetonephos,ethaneaq,ethanol,ethylacetate,fadenzox,fadenzred,fadox, fadred,ferredoxinox,ferredoxinred,ferric,ferrous,fmnox,fmnred,formate, fructose,fructose16phos,fructose6phos,fumarate,galactono14lactone,galactose, galactose1phos,galactose6phos,gluconolactone,gluconolactone6phos,glucose, glucose1phos,glucose6phos,glutamate,glutamine,glutathioneox,glutathionered, glyceraldehyde,glyceraldehydephos,glycerate,glycerol,glycerol3phos,glycine, glycolate,glycylglycine,glyoxylate,h2aq,h2g,h2o,h2o2aq,h2saq,hydroxy2oxoglutarate, hydroxyglutarate,hydroxypropionateb,hydroxypyruvate,hypoxanthine,i2cr,iditol, idp,imp,indole,inosine,iodideion,isomaltose,itp,ketoglutaramate,ketoglutarate, lactate,lactose,lactulose,leucineisoL,leucineL,lyxose,malate,maleate,maltose, malylcoA,mannitol1phos,mannitolD,mannose,mannose1phos,mannose6phos,methaneaq, methaneg,methanol,methionineL,methyl2oxopentanoate,methylmalate,methylmaleate, methylmalonylcoA,n2aq,n2g,n2oaq,nadox,nadpox,nadpred,nadred, nicotinamideribonucleotide,nitrate,nitrite,noaq,o2aq,o2g,oxalate,oxaloacetate, oxalosuccinate,oxalylcoA,oxoproline,palmitate,pep,phenylalanineL, phosphoglycerate2,phosphoglycerate3,phosphohydroxypyruvate,phosphoserine,pi, ppi,propanol2,propanoln,propanoylcoA,prpp,pyruvate,retinal,retinol,ribitol, ribose,ribose1phos,ribose5phos,ribulose,ribulose5phos,serineL,sorbitol, sorbitol6phos,sorbose,succinate,succinylcoA,sucrose,sulfate,sulfite,sulfurcr, thioredoxinox,thioredoxinred,threonine,transcinnamate,trehalose,tryptophanL, tyrosineL,ubiquinoneox,ubiquinonered,urate,urea,uricacid,valineL,xylitol, xylose,xylulose] Remove[acetaldehydeNH,acetateNH,acetoacetateNH,acetoacetylcoANH,acetoneNH, acetylcoANH,acetylphosNH,aconitatecisNH,adenineNH,adenosineNH, adenosinephosphosulfateNH,adpNH,alanineNH,ammoniaNH,ampNH,arabinoseNH, arabinose5phosNH,asparagineLNH,aspartateNH,atpNH,bpgNH,butanalNH,butanolnNH, butyrateNH,cellobioseNH,citrateNH,citrateisoNH,co2gNH,co2totNH,coANH, coAglutathioneNH,coaqNH,cogNH,creatineNH,creatinineNH,cyclicampNH,cysteineLNH, cystineLNH,cytochromecoxNH,cytochromecredNH,deoxyadenosineNH,deoxyadpNH, deoxyampNH,deoxyatpNH,deoxyriboseNH,deoxyribose1phosNH,deoxyribose5phosNH, dihydroxyacetoneNH,dihydroxyacetonephosNH,ethaneaqNH,ethanolNH, ethylacetateNH,fadenzoxNH,fadenzredNH,fadoxNH,fadredNH,ferredoxinoxNH, ferredoxinredNH,ferricNH,ferrousNH,fmnoxNH,fmnredNH,formateNH,fructoseNH, fructose16phosNH,fructose6phosNH,fumarateNH,galactono14lactoneNH, galactoseNH,galactose1phosNH,galactose6phosNH,gluconolactoneNH, gluconolactone6phosNH,glucoseNH,glucose1phosNH,glucose6phosNH,glutamateNH, glutamineNH,glutathioneoxNH,glutathioneredNH,glyceraldehydeNH, glyceraldehydephosNH,glycerateNH,glycerolNH,glycerol3phosNH,glycineNH, glycolateNH,glycylglycineNH,glyoxylateNH,h2aqNH,h2gNH,h2oNH,h2o2aqNH, h2saqNH,hydroxy2oxoglutarateNH,hydroxyglutarateNH,hydroxypropionatebNH, hydroxypyruvateNH,hypoxanthineNH,i2crNH,iditolNH,idpNH,impNH,indoleNH, inosineNH,iodideionNH,isomaltoseNH,itpNH,ketoglutaramateNH, ketoglutarateNH,lactateNH,lactoseNH,lactuloseNH,leucineisoLNH,leucineLNH, lyxoseNH,malateNH,maleateNH,maltoseNH,malylcoANH,mannitol1phosNH,mannitolDNH, mannoseNH,mannose1phosNH,mannose6phosNH,methaneaqNH,methanegNH,methanolNH, methionineLNH,methyl2oxopentanoateNH,methylmalateNH,methylmaleateNH, methylmalonylcoANH,n2aqNH,n2gNH,n2oaqNH,nadoxNH,nadpoxNH,nadpredNH,nadredNH, nicotinamideribonucleotideNH,nitrateNH,nitriteNH,noaqNH,o2aqNH,o2gNH, oxalateNH,oxaloacetateNH,oxalosuccinateNH,oxalylcoANH,oxoprolineNH, palmitateNH,pepNH,phenylalanineLNH,phosphoglycerate2NH,phosphoglycerate3NH, phosphohydroxypyruvateNH,phosphoserineNH,piNH,ppiNH,propanol2NH,propanolnNH, propanoylcoANH,prppNH,pyruvateNH,retinalNH,retinolNH,ribitolNH,riboseNH, ribose1phosNH,ribose5phosNH,ribuloseNH,ribulose5phosNH,serineLNH,sorbitolNH, sorbitol6phosNH,sorboseNH,succinateNH,succinylcoANH,sucroseNH,sulfateNH, sulfiteNH,sulfurcrNH,thioredoxinoxNH,thioredoxinredNH,threonineNH, transcinnamateNH,trehaloseNH,tryptophanLNH,tyrosineLNH,ubiquinoneoxNH, ubiquinoneredNH,urateNH,ureaNH,uricacidNH,valineLNH,xylitolNH,xyloseNH, xyluloseNH] Remove[acetaldehydeGT,acetateGT,acetoneGT,adenineGT,adenosineGT,adpGT, alanineGT,ammoniaGT,ampGT,arabinoseGT,asparagineLGT,aspartateGT,atpGT, citrateGT,co2gGT,co2totGT,coaqGT,cogGT,ethaneaqGT,ethanolGT,ethylacetateGT, ferricGT,ferrousGT,formateGT,fructoseGT,fructose16phosGT,fructose6phosGT, fumarateGT,galactoseGT,glucoseGT,glucose6phosGT,glutamateGT,glutamineGT, glycerolGT,glycerol3phosGT,glycineGT,glycylglycineGT,h2aqGT,h2gGT,h2oGT, h2o2aqGT,h2saqGT,i2crGT,idpGT,impGT,indoleGT,inosineGT,iodideionGT, isomaltoseGT,itpGT,ketoglutarateGT,lactateGT,lactoseGT,leucineLGT,malateGT, maltoseGT,mannoseGT,mannose6phosGT,methaneaqGT,methanegGT,methanolGT,n2aqGT, n2gGT,n2oaqGT,nadoxGT,nadpoxGT,nadpredGT,nadredGT,nitrateGT,nitriteGT, noaqGT,o2aqGT,o2gGT,oxaloacetateGT,pepGT,piGT,ppiGT,propanol2GT,pyruvateGT, riboseGT,ribose1phosGT,ribose5phosGT,ribuloseGT,sorboseGT,succinateGT, sucroseGT,sulfateGT,sulfiteGT,sulfurcrGT,tryptophanLGT,ureaGT,valineLGT, xyloseGT,xyluloseGT] Remove[acetaldehydeHT,acetateHT,acetoneHT,adenineHT,adenosineHT,adpHT,alanineHT, ammoniaHT,ampHT,arabinoseHT,asparagineLHT,aspartateHT,atpHT,citrateHT,co2gHT, co2totHT,coaqHT,cogHT,ethaneaqHT,ethanolHT,ethylacetateHT,ferricHT,ferrousHT, formateHT,fructoseHT,fructose16phosHT,fructose6phosHT,fumarateHT,galactoseHT, glucoseHT,glucose6phosHT,glutamateHT,glutamineHT,glycerolHT,glycerol3phosHT, glycineHT,glycylglycineHT,h2aqHT,h2gHT,h2oHT,h2o2aqHT,h2saqHT,i2crHT,idpHT, impHT,indoleHT,inosineHT,iodideionHT,isomaltoseHT,itpHT,ketoglutarateHT, lactateHT,lactoseHT,leucineLHT,malateHT,maltoseHT,mannoseHT,mannose6phosHT, methaneaqHT,methanegHT,methanolHT,n2aqHT,n2gHT,n2oaqHT,nadoxHT,nadpoxHT, nadpredHT,nadredHT,nitrateHT,nitriteHT,noaqHT,o2aqHT,o2gHT,oxaloacetateHT, pepHT,piHT,ppiHT,propanol2HT,pyruvateHT,riboseHT,ribose1phosHT,ribose5phosHT, ribuloseHT,sorboseHT,succinateHT,sucroseHT,sulfateHT,sulfiteHT,sulfurcrHT, tryptophanLHT,ureaHT,valineLHT,xyloseHT,xyluloseHT] Remove[acetaldehydeST,acetateST,acetoneST,adenineST,adenosineST,adpST,alanineST, ammoniaST,ampST,arabinoseST,asparagineLST,aspartateST,atpST,citrateST,co2gST, co2totST,coaqST,cogST,ethaneaqST,ethanolST,ethylacetateST,ferricST,ferrousST, formateST,fructoseST,fructose16phosST,fructose6phosST,fumarateST,galactoseST, glucoseST,glucose6phosST,glutamateST,glutamineST,glycerolST,glycerol3phosST, glycineST,glycylglycineST,h2aqST,h2gST,h2oST,h2o2aqST,h2saqST,i2crST,idpST, impST,indoleST,inosineST,iodideionST,isomaltoseST,itpST,ketoglutarateST, lactateST,lactoseST,leucineLST,malateST,maltoseST,mannoseST,mannose6phosST, methaneaqST,methanegST,methanolST,n2aqST,n2gST,n2oaqST,nadoxST,nadpoxST, nadpredST,nadredST,nitrateST,nitriteST,noaqST,o2aqST,o2gST,oxaloacetateST, pepST,piST,ppiST,propanol2ST,pyruvateST,riboseST,ribose1phosST,ribose5phosST, ribuloseST,sorboseST,succinateST,sucroseST,sulfateST,sulfiteST,sulfurcrST, tryptophanLST,ureaST,valineLST,xyloseST,xyluloseST] Remove[acetaldehydeNHT,acetateNHT,acetoneNHT,adenineNHT,adenosineNHT,adpNHT, alanineNHT,ammoniaNHT,ampNHT,arabinoseNHT,asparagineLNHT,aspartateNHT,atpNHT, citrateNHT,co2gNHT,co2totNHT,coaqNHT,cogNHT,ethaneaqNHT,ethanolNHT, ethylacetateNHT,ferricNHT,ferrousNHT,formateNHT,fructoseNHT,fructose16phosNHT, fructose6phosNHT,fumarateNHT,galactoseNHT,glucoseNHT,glucose6phosNHT, glutamateNHT,glutamineNHT,glycerolNHT,glycerol3phosNHT,glycineNHT, glycylglycineNHT,h2aqNHT,h2gNHT,h2oNHT,h2o2aqNHT,h2saqNHT,i2crNHT,idpNHT, impNHT,indoleNHT,inosineNHT,iodideionNHT,isomaltoseNHT,itpNHT, ketoglutarateNHT,lactateNHT,lactoseNHT,leucineLNHT,malateNHT,maltoseNHT, mannoseNHT,mannose6phosNHT,methaneaqNHT,methanegNHT,methanolNHT,n2aqNHT, n2gNHT,n2oaqNHT,nadoxNHT,nadpoxNHT,nadpredNHT,nadredNHT,nitrateNHT,nitriteNHT, noaqNHT,o2aqNHT,o2gNHT,oxaloacetateNHT,pepNHT,piNHT,ppiNHT,propanol2NHT, pyruvateNHT,riboseNHT,ribose1phosNHT,ribose5phosNHT,ribuloseNHT,sorboseNHT, succinateNHT,sucroseNHT,sulfateNHT,sulfiteNHT,sulfurcrNHT,tryptophanLNHT, ureaNHT,valineLNHT,xyloseNHT,xyluloseNHT] Unprotect [t,pH, is, acetaldehydesp,acetatesp,acetoacetatesp,acetoacetylcoAsp,acetonesp, acetylcoAsp,acetylphossp,aconitatecissp,adeninesp,adenosinesp, adenosinephosphosulfatesp,adpsp,alaninesp,ammoniasp,ampsp,arabinosesp, arabinose5phossp,asparagineLsp,aspartatesp,atpsp,bpgsp,butanalsp,butanolnsp, butyratesp,cellobiosesp,citratesp,citrateisosp,co2gsp,co2totsp,coAsp, coAglutathionesp,coaqsp,cogsp,creatinesp,creatininesp,cyclicampsp,cysteineLsp, cystineLsp,cytochromecoxsp,cytochromecredsp,deoxyadenosinesp,deoxyadpsp, deoxyampsp,deoxyatpsp,deoxyribosesp,deoxyribose1phossp,deoxyribose5phossp, dihydroxyacetonesp,dihydroxyacetonephossp,ethaneaqsp,ethanolsp, ethylacetatesp,fadenzoxsp,fadenzredsp,fadoxsp,fadredsp,ferredoxinoxsp, ferredoxinredsp,ferricsp,ferroussp,fmnoxsp,fmnredsp,formatesp,fructosesp, fructose16phossp,fructose6phossp,fumaratesp,galactono14lactonesp, galactosesp,galactose1phossp,galactose6phossp,gluconolactonesp, gluconolactone6phossp,glucosesp,glucose1phossp,glucose6phossp,glutamatesp, glutaminesp,glutathioneoxsp,glutathioneredsp,glyceraldehydesp, glyceraldehydephossp,glyceratesp,glycerolsp,glycerol3phossp,glycinesp, glycolatesp,glycylglycinesp,glyoxylatesp,h2aqsp,h2gsp,h2osp,h2o2aqsp, h2saqsp,hydroxy2oxoglutaratesp,hydroxyglutaratesp,hydroxypropionatebsp, hydroxypyruvatesp,hypoxanthinesp,i2crsp,iditolsp,idpsp,impsp,indolesp, inosinesp,iodideionsp,isomaltosesp,itpsp,ketoglutaramatesp, ketoglutaratesp,lactatesp,lactosesp,lactulosesp,leucineisoLsp,leucineLsp, lyxosesp,malatesp,maleatesp,maltosesp,malylcoAsp,mannitol1phossp,mannitolDsp, mannosesp,mannose1phossp,mannose6phossp,methaneaqsp,methanegsp,methanolsp, methionineLsp,methyl2oxopentanoatesp,methylmalatesp,methylmaleatesp, methylmalonylcoAsp,n2aqsp,n2gsp,n2oaqsp,nadoxsp,nadpoxsp,nadpredsp,nadredsp, nicotinamideribonucleotidesp,nitratesp,nitritesp,noaqsp,o2aqsp,o2gsp, oxalatesp,oxaloacetatesp,oxalosuccinatesp,oxalylcoAsp,oxoprolinesp, palmitatesp,pepsp,phenylalanineLsp,phosphoglycerate2sp,phosphoglycerate3sp, phosphohydroxypyruvatesp,phosphoserinesp,pisp,ppisp,propanol2sp,propanolnsp, propanoylcoAsp,prppsp,pyruvatesp,retinalsp,retinolsp,ribitolsp,ribosesp, ribose1phossp,ribose5phossp,ribulosesp,ribulose5phossp,serineLsp,sorbitolsp, sorbitol6phossp,sorbosesp,succinatesp,succinylcoAsp,sucrosesp,sulfatesp, sulfitesp,sulfurcrsp,thioredoxinoxsp,thioredoxinredsp,threoninesp, transcinnamatesp,trehalosesp,tryptophanLsp,tyrosineLsp,ubiquinoneoxsp, ubiquinoneredsp,uratesp,ureasp,uricacidsp,valineLsp,xylitolsp,xylosesp, xylulosesp]; Unprotect[acetaldehyde,acetate,acetoacetate,acetoacetylcoA,acetone,acetylcoA, acetylphos,aconitatecis,adenine,adenosine,adenosinephosphosulfate,adp,alanine, ammonia,amp,arabinose,arabinose5phos,asparagineL,aspartate,atp,bpg,butanal, butanoln,butyrate,cellobiose,citrate,citrateiso,co2g,co2tot,coA, coAglutathione,coaq,cog,creatine,creatinine,cyclicamp,cysteineL,cystineL, cytochromecox,cytochromecred,deoxyadenosine,deoxyadp,deoxyamp,deoxyatp, deoxyribose,deoxyribose1phos,deoxyribose5phos,dihydroxyacetone, dihydroxyacetonephos,ethaneaq,ethanol,ethylacetate,fadenzox,fadenzred,fadox, fadred,ferredoxinox,ferredoxinred,ferric,ferrous,fmnox,fmnred,formate, fructose,fructose16phos,fructose6phos,fumarate,galactono14lactone,galactose, galactose1phos,galactose6phos,gluconolactone,gluconolactone6phos,glucose, glucose1phos,glucose6phos,glutamate,glutamine,glutathioneox,glutathionered, glyceraldehyde,glyceraldehydephos,glycerate,glycerol,glycerol3phos,glycine, glycolate,glycylglycine,glyoxylate,h2aq,h2g,h2o,h2o2aq,h2saq, hydroxy2oxoglutarate,hydroxyglutarate,hydroxypropionateb,hydroxypyruvate, hypoxanthine,i2cr,iditol,idp,imp,indole,inosine,iodideion,isomaltose,itp, ketoglutaramate,ketoglutarate,lactate,lactose,lactulose,leucineisoL, leucineL,lyxose,malate,maleate,maltose,malylcoA,mannitol1phos,mannitolD, mannose,mannose1phos,mannose6phos,methaneaq,methaneg,methanol,methionineL, methyl2oxopentanoate,methylmalate,methylmaleate,methylmalonylcoA,n2aq,n2g, n2oaq,nadox,nadpox,nadpred,nadred,nicotinamideribonucleotide,nitrate, nitrite,noaq,o2aq,o2g,oxalate,oxaloacetate,oxalosuccinate,oxalylcoA, oxoproline,palmitate,pep,phenylalanineL,phosphoglycerate2,phosphoglycerate3, phosphohydroxypyruvate,phosphoserine,pi,ppi,propanol2,propanoln, propanoylcoA,prpp,pyruvate,retinal,retinol,ribitol,ribose,ribose1phos, ribose5phos,ribulose,ribulose5phos,serineL,sorbitol,sorbitol6phos,sorbose, succinate,succinylcoA,sucrose,sulfate,sulfite,sulfurcr,thioredoxinox, thioredoxinred,threonine,transcinnamate,trehalose,tryptophanL,tyrosineL, ubiquinoneox,ubiquinonered,urate,urea,uricacid,valineL,xylitol,xylose, xylulose]; Unprotect[acetaldehydeNH,acetateNH,acetoacetateNH,acetoacetylcoANH,acetoneNH, acetylcoANH,acetylphosNH,aconitatecisNH,adenineNH,adenosineNH, adenosinephosphosulfateNH,adpNH,alanineNH,ammoniaNH,ampNH,arabinoseNH, arabinose5phosNH,asparagineLNH,aspartateNH,atpNH,bpgNH,butanalNH,butanolnNH, butyrateNH,cellobioseNH,citrateNH,citrateisoNH,co2gNH,co2totNH,coANH, coAglutathioneNH,coaqNH,cogNH,creatineNH,creatinineNH,cyclicampNH,cysteineLNH, cystineLNH,cytochromecoxNH,cytochromecredNH,deoxyadenosineNH,deoxyadpNH, deoxyampNH,deoxyatpNH,deoxyriboseNH,deoxyribose1phosNH,deoxyribose5phosNH, dihydroxyacetoneNH,dihydroxyacetonephosNH,ethaneaqNH,ethanolNH, ethylacetateNH,fadenzoxNH,fadenzredNH,fadoxNH,fadredNH,ferredoxinoxNH, ferredoxinredNH,ferricNH,ferrousNH,fmnoxNH,fmnredNH,formateNH,fructoseNH, fructose16phosNH,fructose6phosNH,fumarateNH,galactono14lactoneNH, galactoseNH,galactose1phosNH,galactose6phosNH,gluconolactoneNH, gluconolactone6phosNH,glucoseNH,glucose1phosNH,glucose6phosNH,glutamateNH, glutamineNH,glutathioneoxNH,glutathioneredNH,glyceraldehydeNH, glyceraldehydephosNH,glycerateNH,glycerolNH,glycerol3phosNH,glycineNH, glycolateNH,glycylglycineNH,glyoxylateNH,h2aqNH,h2gNH,h2oNH,h2o2aqNH, h2saqNH,hydroxy2oxoglutarateNH,hydroxyglutarateNH,hydroxypropionatebNH, hydroxypyruvateNH,hypoxanthineNH,i2crNH,iditolNH,idpNH,impNH,indoleNH, inosineNH,iodideionNH,isomaltoseNH,itpNH,ketoglutaramateNH, ketoglutarateNH,lactateNH,lactoseNH,lactuloseNH,leucineisoLNH,leucineLNH, lyxoseNH,malateNH,maleateNH,maltoseNH,malylcoANH,mannitol1phosNH,mannitolDNH, mannoseNH,mannose1phosNH,mannose6phosNH,methaneaqNH,methanegNH,methanolNH, methionineLNH,methyl2oxopentanoateNH,methylmalateNH,methylmaleateNH, methylmalonylcoANH,n2aqNH,n2gNH,n2oaqNH,nadoxNH,nadpoxNH,nadpredNH,nadredNH, nicotinamideribonucleotideNH,nitrateNH,nitriteNH,noaqNH,o2aqNH,o2gNH, oxalateNH,oxaloacetateNH,oxalosuccinateNH,oxalylcoANH,oxoprolineNH, palmitateNH,pepNH,phenylalanineLNH,phosphoglycerate2NH,phosphoglycerate3NH, phosphohydroxypyruvateNH,phosphoserineNH,piNH,ppiNH,propanol2NH,propanolnNH, propanoylcoANH,prppNH,pyruvateNH,retinalNH,retinolNH,ribitolNH,riboseNH, ribose1phosNH,ribose5phosNH,ribuloseNH,ribulose5phosNH,serineLNH,sorbitolNH, sorbitol6phosNH,sorboseNH,succinateNH,succinylcoANH,sucroseNH,sulfateNH, sulfiteNH,sulfurcrNH,thioredoxinoxNH,thioredoxinredNH,threonineNH, transcinnamateNH,trehaloseNH,tryptophanLNH,tyrosineLNH,ubiquinoneoxNH, ubiquinoneredNH,urateNH,ureaNH,uricacidNH,valineLNH,xylitolNH,xyloseNH, xyluloseNH]; Unprotect[acetaldehydeGT,acetateGT,acetoneGT,adenineGT,adenosineGT,adpGT, alanineGT,ammoniaGT,ampGT,arabinoseGT,asparagineLGT,aspartateGT,atpGT, citrateGT,co2gGT,co2totGT,coaqGT,cogGT,ethaneaqGT,ethanolGT,ethylacetateGT, ferricGT,ferrousGT,formateGT,fructoseGT,fructose16phosGT,fructose6phosGT, fumarateGT,galactoseGT,glucoseGT,glucose6phosGT,glutamateGT,glutamineGT, glycerolGT,glycerol3phosGT,glycineGT,glycylglycineGT,h2aqGT,h2gGT,h2oGT, h2o2aqGT,h2saqGT,i2crGT,idpGT,impGT,indoleGT,inosineGT,iodideionGT, isomaltoseGT,itpGT,ketoglutarateGT,lactateGT,lactoseGT,leucineLGT,malateGT, maltoseGT,mannoseGT,mannose6phosGT,methaneaqGT,methanegGT,methanolGT,n2aqGT, n2gGT,n2oaqGT,nadoxGT,nadpoxGT,nadpredGT,nadredGT,nitrateGT,nitriteGT, noaqGT,o2aqGT,o2gGT,oxaloacetateGT,pepGT,piGT,ppiGT,propanol2GT,pyruvateGT, riboseGT,ribose1phosGT,ribose5phosGT,ribuloseGT,sorboseGT,succinateGT, sucroseGT,sulfateGT,sulfiteGT,sulfurcrGT,tryptophanLGT,ureaGT,valineLGT, xyloseGT,xyluloseGT]; Unprotect[acetaldehydeHT,acetateHT,acetoneHT,adenineHT,adenosineHT,adpHT,alanineHT, ammoniaHT,ampHT,arabinoseHT,asparagineLHT,aspartateHT,atpHT,citrateHT,co2gHT, co2totHT,coaqHT,cogHT,ethaneaqHT,ethanolHT,ethylacetateHT,ferricHT,ferrousHT, formateHT,fructoseHT,fructose16phosHT,fructose6phosHT,fumarateHT,galactoseHT, glucoseHT,glucose6phosHT,glutamateHT,glutamineHT,glycerolHT,glycerol3phosHT, glycineHT,glycylglycineHT,h2aqHT,h2gHT,h2oHT,h2o2aqHT,h2saqHT,i2crHT,idpHT, impHT,indoleHT,inosineHT,iodideionHT,isomaltoseHT,itpHT,ketoglutarateHT, lactateHT,lactoseHT,leucineLHT,malateHT,maltoseHT,mannoseHT,mannose6phosHT, methaneaqHT,methanegHT,methanolHT,n2aqHT,n2gHT,n2oaqHT,nadoxHT,nadpoxHT, nadpredHT,nadredHT,nitrateHT,nitriteHT,noaqHT,o2aqHT,o2gHT,oxaloacetateHT, pepHT,piHT,ppiHT,propanol2HT,pyruvateHT,riboseHT,ribose1phosHT,ribose5phosHT, ribuloseHT,sorboseHT,succinateHT,sucroseHT,sulfateHT,sulfiteHT,sulfurcrHT, tryptophanLHT,ureaHT,valineLHT,xyloseHT,xyluloseHT]; Unprotect[acetaldehydeST,acetateST,acetoneST,adenineST,adenosineST,adpST,alanineST, ammoniaST,ampST,arabinoseST,asparagineLST,aspartateST,atpST,citrateST,co2gST, co2totST,coaqST,cogST,ethaneaqST,ethanolST,ethylacetateST,ferricST,ferrousST, formateST,fructoseST,fructose16phosST,fructose6phosST,fumarateST,galactoseST, glucoseST,glucose6phosST,glutamateST,glutamineST,glycerolST,glycerol3phosST, glycineST,glycylglycineST,h2aqST,h2gST,h2oST,h2o2aqST,h2saqST,i2crST,idpST, impST,indoleST,inosineST,iodideionST,isomaltoseST,itpST,ketoglutarateST, lactateST,lactoseST,leucineLST,malateST,maltoseST,mannoseST,mannose6phosST, methaneaqST,methanegST,methanolST,n2aqST,n2gST,n2oaqST,nadoxST,nadpoxST, nadpredST,nadredST,nitrateST,nitriteST,noaqST,o2aqST,o2gST,oxaloacetateST, pepST,piST,ppiST,propanol2ST,pyruvateST,riboseST,ribose1phosST,ribose5phosST, ribuloseST,sorboseST,succinateST,sucroseST,sulfateST,sulfiteST,sulfurcrST, tryptophanLST,ureaST,valineLST,xyloseST,xyluloseST]; Unprotect[acetaldehydeNHT,acetateNHT,acetoneNHT,adenineNHT,adenosineNHT,adpNHT, alanineNHT,ammoniaNHT,ampNHT,arabinoseNHT,asparagineLNHT,aspartateNHT,atpNHT, citrateNHT,co2gNHT,co2totNHT,coaqNHT,cogNHT,ethaneaqNHT,ethanolNHT, ethylacetateNHT,ferricNHT,ferrousNHT,formateNHT,fructoseNHT,fructose16phosNHT, fructose6phosNHT,fumarateNHT,galactoseNHT,glucoseNHT,glucose6phosNHT, glutamateNHT,glutamineNHT,glycerolNHT,glycerol3phosNHT,glycineNHT, glycylglycineNHT,h2aqNHT,h2gNHT,h2oNHT,h2o2aqNHT,h2saqNHT,i2crNHT,idpNHT, impNHT,indoleNHT,inosineNHT,iodideionNHT,isomaltoseNHT,itpNHT, ketoglutarateNHT,lactateNHT,lactoseNHT,leucineLNHT,malateNHT,maltoseNHT, mannoseNHT,mannose6phosNHT,methaneaqNHT,methanegNHT,methanolNHT,n2aqNHT, n2gNHT,n2oaqNHT,nadoxNHT,nadpoxNHT,nadpredNHT,nadredNHT,nitrateNHT,nitriteNHT, noaqNHT,o2aqNHT,o2gNHT,oxaloacetateNHT,pepNHT,piNHT,ppiNHT,propanol2NHT, pyruvateNHT,riboseNHT,ribose1phosNHT,ribose5phosNHT,ribuloseNHT,sorboseNHT, succinateNHT,sucroseNHT,sulfateNHT,sulfiteNHT,sulfurcrNHT,tryptophanLNHT, ureaNHT,valineLNHT,xyloseNHT,xyluloseNHT]; acetaldehydesp={{-139.,-212.23,0,4}}; acetatesp={{-369.31,-486.01,-1,3},{-396.45,-485.76,0,4}}; acetoacetatesp={{-482.49,_,0,5}}; acetoacetylcoAsp={{-285.32,_,0,5}}; acetonesp={{-159.7,-221.71,0,6}}; acetylcoAsp={{-180.36,_,0,3}}; acetylphossp={{-1219.49,_,-2,3},{-1269.08,_,-1,4},{-1298.26,_,0,5}}; aconitatecissp={{-917.13,_,-3,3}}; adeninesp={{313.40,129.5,0,5},{289.43,109.4,1,6}}; adenosinesp={{-194.5,-621.3,0,13},{-214.28,-637.7,1,14}}; adenosinephosphosulfatesp={{-1541.98,_,-1,12}}; adpsp={{-1906.13,-2626.54,-3,12},{-1947.1,-2620.94,-2, 13},{-1971.98,-2638.54,-1,14}}; alaninesp={{-371.,-554.8,0,7}}; ammoniasp={{-26.5,-80.29,0,3},{-79.31,-132.51,1,4}}; ampsp={{-1040.45,-1635.37,-2,12},{-1078.86,-1629.97,-1, 13},{-1101.63,-1648.07,0,14}}; arabinosesp={{-742.23,-1043.79,0,10}}; arabinose5phossp={{-1598.34,_,-2,9},{-1636.53,_,-1,10}}; asparagineLsp={{-525.93,-766.09,0,8}}; aspartatesp={{-695.88,-943.41,-1,6}}; atpsp={{-2768.1,-3619.21,-4,12},{-2811.48,-3612.91,-3, 13},{-2838.18,-3627.91,-2,14}}; bpgsp={{-2356.14,_,-4,4},{-2401.58,_,-3,5}}; butanalsp={{-129.87,_,0,8}}; butanolnsp={{-171.84,_,0,10}}; butyratesp={{-352.63,_,-1,7}}; cellobiosesp={{-1585.94,_,0,22}}; citratesp={{-1162.69,-1515.11,-3,5},{-1199.18,-1518.46,-2, 6},{-1226.33,-1520.88,-1,7}}; citrateisosp={{-1156.04,_,-3,5},{-1192.57,_,-2,6},{-1219.47,_,-1,7}}; co2gsp={{-394.36,-393.5,0,0}}; co2totsp={{-527.81,-677.14,-2,0},{-586.77,-691.99,-1,1},{-623.11,-699.63,0, 2}}; coAsp={{0,_,-1,0},{-47.83,_,0,1}}; coAglutathionesp={{-35.85,_,-1,15}}; coaqsp={{-119.9,-120.96,0,0}}; cogsp={{-137.17,-110.53,0,0}}; creatinesp={{-259.2,_,0,9}}; creatininesp={{-23.14,_,0,7}}; cyclicampsp={{-629.68,_,-1,7}}; cysteineLsp={{-291.,_,-1,6},{-338.82,_,0,7}}; cystineLsp={{-666.51,_,0,12}}; cytochromecoxsp={{0,_,3,0}}; cytochromecredsp={{-24.51,_,2,0}}; deoxyadenosinesp={{-46.64,_,0,13},{-66.42,_,1,14}}; deoxyadpsp={{-1758.27,_,-3,12},{-1799.24,_,-2,13},{-1824.12,_,-1,14}}; deoxyampsp={{-892.59,_,-2,12},{-931.0,_,-1,13},{-953.77,_,0,14}}; deoxyatpsp={{-2620.24,_,-4,12},{-2663.62,_,-3,13},{-2690.32,_,-2,14}}; deoxyribosesp={{-604.14,_,0,10}}; deoxyribose1phossp={{-1439.84,_,-2,9},{-1478.02,_,-1,10}}; deoxyribose5phossp={{-1447.92,_,-2,9},{-1486.11,_,-1,10}}; dihydroxyacetonesp={{-451.0,_,0,6}}; dihydroxyacetonephossp={{-1296.26,_,-2,5},{-1328.8,_,-1,6}}; ethaneaqsp={{-17.01,-102.09,0,6}}; ethanolsp={{-181.64,-288.3,0,6}}; ethylacetatesp={{-337.65,-482.,0,8}}; fadenzoxsp={{0,_,-2,31}}; fadenzredsp={{-88.6,_,-2,33}}; fadoxsp={{0,_,-2,31}}; fadredsp={{-38.88,_,-2,33}}; ferredoxinoxsp={{0,_,1,0}}; ferredoxinredsp={{38.07,_,0,0}}; ferricsp={{-4.70,-48.5,3,0}}; ferroussp={{-78.90,-89.10,2,0}}; fmnoxsp={{0,_,-2,19}}; fmnredsp={{-38.88,_,-2,21}}; formatesp={{-351.,-425.55,-1,1}}; fructosesp={{-915.51,-1259.38,0,12}}; fructose16phossp={{-2601.4,-3343.25,-4,10},{-2639.36,-3341.45,-3,11},{-2673.\ \ 89,-3339.65,-2,12}}; fructose6phossp={{-1760.8,-2265.17,-2,11},{-1796.6,-2263.37,-1,12}}; fumaratesp={{-601.87,-777.39,-2,2},{-628.14,-774.46,-1,3},{-645.8,-774.88,0, 4}}; galactono14lactonesp={{-905.34,_,0,10}}; galactosesp={{-908.93,-1255.2,0,12}}; galactose1phossp={{-1756.69,_,-2,11},{-1791.77,_,-1,12}}; galactose6phossp={{-1756.81,_,-2,11},{-1793.57,_,-1,12}}; gluconolactonesp={{-903.50,_,0,10}}; gluconolactone6phossp={{-1746.08,_,-2,9},{-1782.73,_,-1,10}}; glucosesp={{-915.9,-1262.19,0,12}}; glucose1phossp={{-1756.87,_,-2,11},{-1793.98,_,-1,12}}; glucose6phossp={{-1763.94,-2276.44,-2,11},{-1800.59,-2274.64,-1,12}}; glutamatesp={{-697.47,-979.89,-1,8}}; glutaminesp={{-528.02,-805.,0,10}}; glutathioneoxsp={{0,_,-2,30}}; glutathioneredsp={{34.17,_,-2,15},{-13.44,_,-1,16}}; glyceraldehydesp={{-440.02,_,0,6}}; glyceraldehydephossp={{-1288.6,_,-2,5},{-1321.14,_,-1,6}}; glyceratesp={{-661.01,_,-1,5}}; glycerolsp={{-497.48,-676.55,0,8}}; glycerol3phossp={{-1358.96,-1724.59,-2,7},{-1397.04,-1722.79,-1,8}}; glycinesp={{-379.91,-523.,0,5}}; glycolatesp={{-530.95,_,-1,3}}; glycylglycinesp={{-520.2,-734.25,0,8}}; glyoxylatesp={{-468.6,_,-1,1}}; h2aqsp={{17.6,-4.2,0,2}}; h2gsp={{0,0,0,2}}; h2osp={{-237.19,-285.83,0,2}}; h2o2aqsp={{-134.03,-191.17,0,2}}; h2saqsp={{85.8,33.1,-2,0},{12.08,-17.6,-1,1},{-27.83,-39.7,0,2}}; hydroxy2oxoglutaratesp={{-951.78,_,-2,4}}; hydroxyglutaratesp={{-840.18,_,-2,6}}; hydroxypropionatebsp={{-518.4,_,-1,5}}; hydroxypyruvatesp={{-608.55,_,-1,3}}; hypoxanthinesp={{89.5,_,0,4}}; i2crsp={{0,0,0,0}}; iditolsp={{-944.73,_,0,14}}; idpsp={{-2066.44,-2797.18,-4,10},{-2121.01,-2825.88,-3, 11},{-2161.99,-2820.28,-2,12}}; impsp={{-1200.43,-1799.61,-3,10},{-1255.42,-1834.71,-2, 11},{-1293.84,-1829.31,-1,12}}; indolesp={{223.8,97.5,0,7}}; inosinesp={{-358.02,-792.74,-1,11},{-409.15,-819.84,0,12}}; iodideionsp={{-51.57,-55.19,-1,0}}; isomaltosesp={{-1587.71,-2244.48,0,22}}; itpsp={{-2925.31,-3794.65,-5,10},{-2982.90,-3818.60,-4, 11},{-3026.28,-3812.25,-3,12}}; ketoglutaramatesp={{-595.88,_,-1,5}}; ketoglutaratesp={{-793.41,-1044.06,-2,4}}; lactatesp={{-516.72,-686.64,-1,5}}; lactosesp={{-1567.33,-2233.08,0,22}}; lactulosesp={{-1575.22,_,0,22}}; leucineisoLsp={{-343.9,_,0,13}}; leucineLsp={{-352.25,-643.37,0,13}}; lyxosesp={{-749.14,_,0,10}}; malatesp={{-842.66,-1079.79,-2,4},{-872.68,-1079.95,-1,5}}; maleatesp={{-592.09,_,-2,2}}; maltosesp={{-1574.69,-2238.06,0,22}}; malylcoAsp={{-663.44,_,-1,4},{-687.47,_,0,5}}; mannitol1phossp={{-1793.58,_,-2,13},{-1830.68,_,-1,14}}; mannitolDsp={{-942.61,_,0,14}}; mannosesp={{-910.,-1258.66,0,12}}; mannose1phossp={{-1754.56,_,-2,11},{-1791.32,_,-1,12}}; mannose6phossp={{-1759.87,-2273.71,-2,11},{-1796.63,-2271.90,-1,12}}; methaneaqsp={{-34.33,-89.04,0,4}}; methanegsp={{-50.72,-74.81,0,4}}; methanolsp={{-175.31,-245.93,0,4}}; methionineLsp={{-502.92,_,0,11}}; methyl2oxopentanoatesp={{-445.14,_,-1,9}}; methylmalatesp={{-843.90,_,-2,6}}; methylmaleatesp={{-600.7,_,-2,4},{-636.49,_,-1,5}}; methylmalonylcoAsp={{-502.48,_,-1,4},{-526.51,_,0,5}}; n2aqsp={{18.7,-10.54,0,0}}; n2gsp={{0,0,0,0}}; n2oaqsp={{104.2,82.05,0,0}}; nadoxsp={{0,0,-1,26}}; nadpoxsp={{-835.18,-1007.48,-3,25}}; nadpredsp={{-809.71,-1036.66,-4,26}}; nadredsp={{22.65,-31.94,-2,27}}; nicotinamideribonucleotidesp={{840.08,_,-2,14},{803.32,_,-1,15}}; nitratesp={{-108.74,-205.0,-1,0},{-111.25,-207.36,0,1}}; nitritesp={{-32.2,-104.6,-1,0},{-50.6,-119.2,0,1}}; noaqsp={{86.55,90.25,0,0}}; o2aqsp={{16.4,-11.7,0,0}}; o2gsp={{0,0,0,0}}; oxalatesp={{-673.9,825.1,-2,0},{-698.33,_,-1,1}}; oxaloacetatesp={{-793.29,-959.90,-2,2}}; oxalosuccinatesp={{-1138.88,_,-2,4}}; oxalylcoAsp={{-509.96,_,-1,0}}; oxoprolinesp={{-469.15,_,-1,6}}; palmitatesp={{-259.4,_,-1,31}}; pepsp={{-1263.65,-1621.38,-3,2},{-1303.61,-1619.58,-2,3}}; phenylalanineLsp={{-207.1,_,0,11}}; phosphoglycerate2sp={{-1496.38,_,-3,4},{-1539.99,_,-2,5}}; phosphoglycerate3sp={{-1502.54,_,-3,4},{-1545.52,_,-2,5}}; phosphohydroxypyruvatesp={{-1448.67,_,-3,2}}; phosphoserinesp={{-1360.75,_,-2,6},{-1397.51,_,-1,7}}; pisp={{-1096.1,-1299.,-2,1},{-1137.3,-1302.6,-1,2}}; ppisp={{-1919.86,-2293.47,-4,0},{-1973.86,-2294.87,-3, 1},{-2012.21,-2295.37,-2,2},{-2025.11,-2290.37,-1, 3},{-2029.85,-2281.17,0,4}}; propanol2sp={{-185.23,-330.83,0,8}}; propanolnsp={{-175.81,_,0,8}}; propanoylcoAsp={{-179.14,_,0,5}}; prppsp={{-3284.25,_,-5,8},{-3325.23,_,-4,9},{-3363.42,_,-3,10}}; pyruvatesp={{-472.27,-596.22,-1,3}}; retinalsp={{0,_,0,28}}; retinolsp={{-27.91,_,0,30}}; ribitolsp={{-774.8,_,0,12}}; ribosesp={{-752.00,-1034.00,0,10}}; ribose1phossp={{-1587.70,-2041.48,-2,9},{-1625.88,-2030.18,-1,10}}; ribose5phossp={{-1595.78,-2041.48,-2,9},{-1633.96,-2030.18,-1,10}}; ribulosesp={{-735.94,-1023.02,0,10}}; ribulose5phossp={{-1595.32,_,-2,9},{-1633.50,_,-1,10}}; serineLsp={{-510.87,_,0,7}}; sorbitolsp={{-946.36,_,0,14}}; sorbitol6phossp={{-1793.10,_,-2,13},{-1829.75,_,-1,14}}; sorbosesp={{-911.95,-1263.3,0,12}}; succinatesp={{-690.44,-908.68,-2,4},{-722.62,-908.84,-1,5},{-746.64,-912.2,0, 6}}; succinylcoAsp={{-509.72, _, -1, 4}, {-533.76, _, 0, 5}}; sucrosesp={{-1564.7,-2199.87,0,22}}; sulfatesp={{-744.53,-909.27,-2,0},{-755.91,-887.34,-1,1}}; sulfitesp={{-486.5,-635.5,-2,0},{-527.78,-626.22,-1,1}}; sulfurcrsp={{0,0,0,0}}; thioredoxinoxsp={{0,_,0,0}}; thioredoxinredsp={{69.88,_,-2,0},{20.56,_,-1,1},{-25.37,_,0,2}}; threoninesp={{-528.89,_,0,9}}; transcinnamatesp={{-128.75,_,-1,7}}; trehalosesp={{-1582.76,_,0,22}}; tryptophanLsp={{-114.7,-405.2,0,12}}; tyrosineLsp={{-370.7,_,0,11}}; ubiquinoneoxsp={{0,_,0,90}}; ubiquinoneredsp={{-89.92,_,0,92}}; uratesp={{-325.9,_,-1,3}}; ureasp={{-202.8,-317.65,0,4}}; uricacidsp={{-356.9,_,0,4}}; valineLsp={{-358.65,-611.99,0,11}}; xylitolsp={{-784.09,_,0,12}}; xylosesp={{-750.49,-1045.94,0,10}}; xylulosesp={{-746.15,-1029.65,0,10}}; Begin["Private`"]; calcdGmat[speciesmat_] := Module[{dGzero, dHzero, zi, nH, pHterm, isterm, gpfnsp},(*This program produces the function of pH and ionic strength (is) that gives the standard transformed Gibbs energy of formation of a reactant (sum of species) at 298.15 K. The input speciesmat is a matrix that gives the standard Gibbs energy of formation, the standard enthalpy of formation, the electric charge, and the number of hydrogen atoms in each species. There is a row in the matrix for each species of the reactant. gpfnsp is a list of the functions for the species. Energies are expressed in kJ mol^-1.*) {dGzero, dHzero, zi, nH} = Transpose[speciesmat]; pHterm = nH*8.31451*0.29815*Log[10^(-pH)]; isterm = 2.91482*(zi^2 - nH)*(is^0.5/(1 + 1.6*is^0.5)); gpfnsp = dGzero - pHterm - isterm; -8.31451*0.29815*Log[Plus @@ Exp[-(gpfnsp/(8.31451*0.29815))]]] calcNHmat[speciesmat_] := Module[{dGzero, dHzero,zi, nH, pHterm, isterm,gpfnsp,trgef},(*This program produces the function of pH and ionic strength (is) that gives the average number of hydrogen atoms in a reactant (sum of species) at 298.15 K. The input speciesmat is a matrix that gives the standard Gibbs energy of formation, the standard enthalpy of formation, the electric charge, and the number of hydrogen atoms in each species. There is a row in the matrix for each species of the reactant. gpfnsp is a list of the functions for the species.*) {dGzero,dHzero,zi,nH}=Transpose[speciesmat]; pHterm = nH*8.31451*.29815*Log[10^-pH]; isterm = 2.91482*((zi^2) - nH)*(is^.5)/(1 + 1.6*is^.5); gpfnsp=dGzero - pHterm - isterm; trgef=-8.31451*.29815*Log[Apply[Plus,Exp[-1*gpfnsp/(8.31451*.29815)]]]; D[trgef,pH]/(8.31451*.29815*Log[10])] derivetrGibbsT[speciesmat_]:=Module[{dGzero,dGzeroT,dHzero,zi,nH,gibbscoeff ,pHterm, isterm,gpfnsp},(*This program derives the function of T (in Kelvin), pH, and ionic strength (is) that gives the standard transformed Gibbs energy of formation of a reactant (sum of species). The input speciesmat is a matrix that gives the standard Gibbs energy of formation in kJ mol^-1 at 298.15 K and zero ionic strength, the standard enthalpy of formation in kJ mol^-1 at 298.15 K and zero ionic strength, the electric charge, and the number of hydrogen atoms in each species. There is a row in the matrix for each species of the reactant. gpfnsp is a list of the functions for the standard transformed Gibbs energies of the species. The corresponding functions for other transformed properties can be obtained by taking partial derivatives. The standard transformed Gibbs energy of formation of a reactant in kJ mol^-1 can be calculated at any temperature in the range 273.15 K to 313.15 K, any pH in the range 5 to 9, and any ionic strength in the range 0 to 0.35 M by use of ReplaceAll (/.).*) {dGzero,dHzero,zi,nH}=Transpose[speciesmat]; gibbscoeff=(9.20483*t)/10^3-(1.284668*t^2)/10^5+(4.95199*t^3)/10^8; dGzeroT=(dGzero*t)/298.15+dHzero*(1-t/298.15); pHterm=(nH*8.31451*t*Log[10^(-pH)])/1000; istermG=(gibbscoeff*(zi^2-nH)*is^0.5)/(1+1.6*is^0.5); gpfnsp=dGzeroT-pHterm-istermG; -((8.31451*t*Log[Plus@@(E^(-(gpfnsp/((8.31451*t)/1000))))])/1000)] derivetrHT[speciesmat_]:=Module[{dGzero,dGzeroT,dHzero,zi,nH,gibbscoeff, pHterm,isterm,gpfnsp,gibbsereactant},(*This program derives the function of T (in Kelvin), pH, and ionic strength (is) that gives the stndard transformed enthalpy of formation of a reactant (sum of species). The input speciesmat is a matrix that gives the standard Gibbs energy of formation in kJ mol^-1 at 298.15 K and zero ionic strength, the standard enthalpy of formation in kJ mol^-1 at 298.15 K and zero ionic strength, the electric charge, and the number of hydrogen atoms in each species. There is a row in the matrix for each species of the reactant. gpfnsp is a list of the functions for the standard transformed Gibbs energies of the species. This program applies the Gibbs-Helmholtz equation to the function for the standard transformed Gibbs energy of formation of a reactant. The standard transformed enthalpy of formation of a reactant in kJ mol^-1 can be calculated at any temperature in the range 273.15 K to 313.15 K, any pH in the range 5 to 9, and any ionic strength in the range 0 to 0.35 M by use of ReplaceAll (/.).*) {dGzero,dHzero,zi,nH}=Transpose[speciesmat]; gibbscoeff=(9.20483*t)/10^3-(1.284668*t^2)/10^5+(4.95199*t^3)/10^8; dGzeroT=(dGzero*t)/298.15+dHzero*(1-t/298.15); pHterm=(nH*8.31451*t*Log[10^(-pH)])/1000; istermG=(gibbscoeff*(zi^2-nH)*is^0.5)/(1+1.6*is^0.5); gpfnsp=dGzeroT-pHterm-istermG; gibbsereactant=-((8.31451*t*Log[Plus@@(E^(-(gpfnsp/((8.31451*t)/1000))))])/1000); -t^2*D[gibbsereactant/t,t]] derivetrST[speciesmat_]:=Module[{dGzero,dGzeroT,dHzero,zi,nH,gibbscoeff,pHterm, isterm,gpfnsp,gibbsereactant},(*This program derives the function of T (in Kelvin), pH, and ionic strength (is) that gives the stndard transformed entropy of formation of a reactant (sum of species). The input speciesmat is a matrix that gives the standard Gibbs energy of formation in kJ mol^-1 at 298.15 K and zero ionic strength, the standard enthalpy of formation in kJ mol^-1 at 298.15 K and zero ionic strength, the electric charge, and the number of hydrogen atoms in each species. There is a row in the matrix for each species of the reactant. gpfnsp is a list of the functions for the standard transformed Gibbs energies of the species. This program applies the equation for the entropy to the function for the standard transformed Gibbs energy of formation of a reactant. The standard transformed entropy of formation of a reactant in kJ K^-1 mol^-1 can be calculated at any temperature in the range 273.15 K to 313.15 K, any pH in the range 5 to 9, and any ionic strength in the range 0 to 0.35 M by use of ReplaceAll (/.).*) {dGzero,dHzero,zi,nH}=Transpose[speciesmat]; gibbscoeff=(9.20483*t)/10^3-(1.284668*t^2)/10^5+(4.95199*t^3)/10^8; dGzeroT=(dGzero*t)/298.15+dHzero*(1-t/298.15); pHterm=(nH*8.31451*t*Log[10^(-pH)])/1000; istermG=(gibbscoeff*(zi^2-nH)*is^0.5)/(1+1.6*is^0.5); gpfnsp=dGzeroT-pHterm-istermG; gibbsereactant=-((8.31451*t*Log[Plus@@(E^(-(gpfnsp/((8.31451*t)/1000))))])/1000); -D[gibbsereactant,t]] deriveNHT[speciesmat_]:=Module[{dGzero,dGzeroT,dHzero,zi,nH,gibbscoeff,pHterm, isterm,gpfnsp,trgefT},(*This program derives the function of T (in Kelvin), pH, and ionic strength (is) that gives the average number of hydrogen atoms in a reactant (sum of species). The input speciesmat is a matrix that gives the standard Gibbs energy of formation in kJ mol^-1 at 298.15 K and zero ionic strength, the standard enthalpy of formation in kJ mol^-1 at 298.15 K and zero ionic strength, the electric charge, and the number of hydrogen atoms in each species. There is a row in the matrix for each species of the reactant. gpfnsp is a list of the functions for the standard transformed Gibbs energies of the species. The average number can be calculated at any temperature in the range 273.15 K to 313.15 K, any pH in the range 5 to 9, and any ionic strength in the range 0 to 0.35 M by use of ReplaceAll (/.).*) {dGzero,dHzero,zi,nH}=Transpose[speciesmat]; gibbscoeff=(9.20483*t)/10^3-(1.284668*t^2)/10^5+(4.95199*t^3)/10^8; dGzeroT=(dGzero*t)/298.15+dHzero*(1-t/298.15); pHterm=(nH*8.31451*t*Log[10^(-pH)])/1000; istermG=(gibbscoeff*(zi^2-nH)*is^0.5)/(1+1.6*is^0.5); gpfnsp=dGzeroT-pHterm-istermG; trgefT=-((8.31451*t*Log[Plus@@(E^(-(gpfnsp/((8.31451*t)/1000))))])); D[trgefT,pH]/(8.31451*t*Log[10])] Clear[acetaldehyde,acetate,acetoacetate,acetoacetylcoA,acetone,acetylcoA, acetylphos,aconitatecis,adenine,adenosine,adenosinephosphosulfate,adp,alanine, ammonia,amp,arabinose,arabinose5phos,asparagineL,aspartate,atp,bpg,butanal, butanoln,butyrate,cellobiose,citrate,citrateiso,co2g,co2tot,coA, coAglutathione,coaq,cog,creatine,creatinine,cyclicamp,cysteineL,cystineL, cytochromecox,cytochromecred,deoxyadenosine,deoxyadp,deoxyamp,deoxyatp, deoxyribose,deoxyribose1phos,deoxyribose5phos,dihydroxyacetone, dihydroxyacetonephos,ethaneaq,ethanol,ethylacetate,fadenzox,fadenzred,fadox, fadred,ferredoxinox,ferredoxinred,ferric,ferrous,fmnox,fmnred,formate, fructose,fructose16phos,fructose6phos,fumarate,galactono14lactone,galactose, galactose1phos,galactose6phos,gluconolactone,gluconolactone6phos,glucose, glucose1phos,glucose6phos,glutamate,glutamine,glutathioneox,glutathionered, glyceraldehyde,glyceraldehydephos,glycerate,glycerol,glycerol3phos,glycine, glycolate,glycylglycine,glyoxylate,h2aq,h2g,h2o,h2o2aq,h2saq, hydroxy2oxoglutarate,hydroxyglutarate,hydroxypropionateb,hydroxypyruvate, hypoxanthine,i2cr,iditol,idp,imp,indole,inosine,iodideion,isomaltose,itp, ketoglutaramate,ketoglutarate,lactate,lactose,lactulose,leucineisoL, leucineL,lyxose,malate,maleate,maltose,malylcoA,mannitol1phos,mannitolD, mannose,mannose1phos,mannose6phos,methaneaq,methaneg,methanol,methionineL, methyl2oxopentanoate,methylmalate,methylmaleate,methylmalonylcoA,n2aq,n2g, n2oaq,nadox,nadpox,nadpred,nadred,nicotinamideribonucleotide,nitrate, nitrite,noaq,o2aq,o2g,oxalate,oxaloacetate,oxalosuccinate,oxalylcoA, oxoproline,palmitate,pep,phenylalanineL,phosphoglycerate2,phosphoglycerate3, phosphohydroxypyruvate,phosphoserine,pi,ppi,propanol2,propanoln, propanoylcoA,prpp,pyruvate,retinal,retinol,ribitol,ribose,ribose1phos, ribose5phos,ribulose,ribulose5phos,serineL,sorbitol,sorbitol6phos,sorbose, succinate,succinylcoA,sucrose,sulfate,sulfite,sulfurcr,thioredoxinox, thioredoxinred,threonine,transcinnamate,trehalose,tryptophanL,tyrosineL, ubiquinoneox,ubiquinonered,urate,urea,uricacid,valineL,xylitol,xylose, xylulose] Evaluate[{acetaldehyde,acetate,acetoacetate,acetoacetylcoA,acetone,acetylcoA, acetylphos,aconitatecis,adenine,adenosine,adenosinephosphosulfate,adp,alanine, ammonia,amp,arabinose,arabinose5phos,asparagineL,aspartate,atp,bpg,butanal, butanoln,butyrate,cellobiose,citrate,citrateiso,co2g,co2tot,coA, coAglutathione,coaq,cog,creatine,creatinine,cyclicamp,cysteineL,cystineL, cytochromecox,cytochromecred,deoxyadenosine,deoxyadp,deoxyamp,deoxyatp, deoxyribose,deoxyribose1phos,deoxyribose5phos,dihydroxyacetone, dihydroxyacetonephos,ethaneaq,ethanol,ethylacetate,fadenzox,fadenzred,fadox, fadred,ferredoxinox,ferredoxinred,ferric,ferrous,fmnox,fmnred,formate, fructose,fructose16phos,fructose6phos,fumarate,galactono14lactone,galactose, galactose1phos,galactose6phos,gluconolactone,gluconolactone6phos,glucose, glucose1phos,glucose6phos,glutamate,glutamine,glutathioneox,glutathionered, glyceraldehyde,glyceraldehydephos,glycerate,glycerol,glycerol3phos,glycine, glycolate,glycylglycine,glyoxylate,h2aq,h2g,h2o,h2o2aq,h2saq, hydroxy2oxoglutarate,hydroxyglutarate,hydroxypropionateb,hydroxypyruvate, hypoxanthine,i2cr,iditol,idp,imp,indole,inosine,iodideion,isomaltose,itp, ketoglutaramate,ketoglutarate,lactate,lactose,lactulose,leucineisoL, leucineL,lyxose,malate,maleate,maltose,malylcoA,mannitol1phos,mannitolD, mannose,mannose1phos,mannose6phos,methaneaq,methaneg,methanol,methionineL, methyl2oxopentanoate,methylmalate,methylmaleate,methylmalonylcoA,n2aq,n2g, n2oaq,nadox,nadpox,nadpred,nadred,nicotinamideribonucleotide,nitrate, nitrite,noaq,o2aq,o2g,oxalate,oxaloacetate,oxalosuccinate,oxalylcoA, oxoproline,palmitate,pep,phenylalanineL,phosphoglycerate2,phosphoglycerate3, phosphohydroxypyruvate,phosphoserine,pi,ppi,propanol2,propanoln, propanoylcoA,prpp,pyruvate,retinal,retinol,ribitol,ribose,ribose1phos, ribose5phos,ribulose,ribulose5phos,serineL,sorbitol,sorbitol6phos,sorbose, succinate,succinylcoA,sucrose,sulfate,sulfite,sulfurcr,thioredoxinox, thioredoxinred,threonine,transcinnamate,trehalose,tryptophanL,tyrosineL, ubiquinoneox,ubiquinonered,urate,urea,uricacid,valineL,xylitol,xylose, xylulose}]=Map[\ calcdGmat,{acetaldehydesp,acetatesp,acetoacetatesp,acetoacetylcoAsp,acetonesp, acetylcoAsp,acetylphossp,aconitatecissp,adeninesp,adenosinesp, adenosinephosphosulfatesp,adpsp,alaninesp,ammoniasp,ampsp,arabinosesp, arabinose5phossp,asparagineLsp,aspartatesp,atpsp,bpgsp,butanalsp,butanolnsp, butyratesp,cellobiosesp,citratesp,citrateisosp,co2gsp,co2totsp,coAsp, coAglutathionesp,coaqsp,cogsp,creatinesp,creatininesp,cyclicampsp,cysteineLsp, cystineLsp,cytochromecoxsp,cytochromecredsp,deoxyadenosinesp,deoxyadpsp, deoxyampsp,deoxyatpsp,deoxyribosesp,deoxyribose1phossp,deoxyribose5phossp, dihydroxyacetonesp,dihydroxyacetonephossp,ethaneaqsp,ethanolsp, ethylacetatesp,fadenzoxsp,fadenzredsp,fadoxsp,fadredsp,ferredoxinoxsp, ferredoxinredsp,ferricsp,ferroussp,fmnoxsp,fmnredsp,formatesp,fructosesp, fructose16phossp,fructose6phossp,fumaratesp,galactono14lactonesp, galactosesp,galactose1phossp,galactose6phossp,gluconolactonesp, gluconolactone6phossp,glucosesp,glucose1phossp,glucose6phossp,glutamatesp, glutaminesp,glutathioneoxsp,glutathioneredsp,glyceraldehydesp, glyceraldehydephossp,glyceratesp,glycerolsp,glycerol3phossp,glycinesp, glycolatesp,glycylglycinesp,glyoxylatesp,h2aqsp,h2gsp,h2osp,h2o2aqsp, h2saqsp,hydroxy2oxoglutaratesp,hydroxyglutaratesp,hydroxypropionatebsp, hydroxypyruvatesp,hypoxanthinesp,i2crsp,iditolsp,idpsp,impsp,indolesp, inosinesp,iodideionsp,isomaltosesp,itpsp,ketoglutaramatesp, ketoglutaratesp,lactatesp,lactosesp,lactulosesp,leucineisoLsp,leucineLsp, lyxosesp,malatesp,maleatesp,maltosesp,malylcoAsp,mannitol1phossp,mannitolDsp, mannosesp,mannose1phossp,mannose6phossp,methaneaqsp,methanegsp,methanolsp, methionineLsp,methyl2oxopentanoatesp,methylmalatesp,methylmaleatesp, methylmalonylcoAsp,n2aqsp,n2gsp,n2oaqsp,nadoxsp,nadpoxsp,nadpredsp,nadredsp, nicotinamideribonucleotidesp,nitratesp,nitritesp,noaqsp,o2aqsp,o2gsp, oxalatesp,oxaloacetatesp,oxalosuccinatesp,oxalylcoAsp,oxoprolinesp, palmitatesp,pepsp,phenylalanineLsp,phosphoglycerate2sp,phosphoglycerate3sp, phosphohydroxypyruvatesp,phosphoserinesp,pisp,ppisp,propanol2sp,propanolnsp, propanoylcoAsp,prppsp,pyruvatesp,retinalsp,retinolsp,ribitolsp,ribosesp, ribose1phossp,ribose5phossp,ribulosesp,ribulose5phossp,serineLsp,sorbitolsp, sorbitol6phossp,sorbosesp,succinatesp,succinylcoAsp,sucrosesp,sulfatesp, sulfitesp,sulfurcrsp,thioredoxinoxsp,thioredoxinredsp,threoninesp, transcinnamatesp,trehalosesp,tryptophanLsp,tyrosineLsp,ubiquinoneoxsp, ubiquinoneredsp,uratesp,ureasp,uricacidsp,valineLsp,xylitolsp,xylosesp, xylulosesp}]; Clear[acetaldehydeNH,acetateNH,acetoacetateNH,acetoacetylcoANH,acetoneNH, acetylcoANH,acetylphosNH,aconitatecisNH,adenineNH,adenosineNH, adenosinephosphosulfateNH,adpNH,alanineNH,ammoniaNH,ampNH,arabinoseNH, arabinose5phosNH,asparagineLNH,aspartateNH,atpNH,bpgNH,butanalNH,butanolnNH, butyrateNH,cellobioseNH,citrateNH,citrateisoNH,co2gNH,co2totNH,coANH, coAglutathioneNH,coaqNH,cogNH,creatineNH,creatinineNH,cyclicampNH,cysteineLNH, cystineLNH,cytochromecoxNH,cytochromecredNH,deoxyadenosineNH,deoxyadpNH, deoxyampNH,deoxyatpNH,deoxyriboseNH,deoxyribose1phosNH,deoxyribose5phosNH, dihydroxyacetoneNH,dihydroxyacetonephosNH,ethaneaqNH,ethanolNH, ethylacetateNH,fadenzoxNH,fadenzredNH,fadoxNH,fadredNH,ferredoxinoxNH, ferredoxinredNH,ferricNH,ferrousNH,fmnoxNH,fmnredNH,formateNH,fructoseNH, fructose16phosNH,fructose6phosNH,fumarateNH,galactono14lactoneNH, galactoseNH,galactose1phosNH,galactose6phosNH,gluconolactoneNH, gluconolactone6phosNH,glucoseNH,glucose1phosNH,glucose6phosNH,glutamateNH, glutamineNH,glutathioneoxNH,glutathioneredNH,glyceraldehydeNH, glyceraldehydephosNH,glycerateNH,glycerolNH,glycerol3phosNH,glycineNH, glycolateNH,glycylglycineNH,glyoxylateNH,h2aqNH,h2gNH,h2oNH,h2o2aqNH, h2saqNH,hydroxy2oxoglutarateNH,hydroxyglutarateNH,hydroxypropionatebNH, hydroxypyruvateNH,hypoxanthineNH,i2crNH,iditolNH,idpNH,impNH,indoleNH, inosineNH,iodideionNH,isomaltoseNH,itpNH,ketoglutaramateNH, ketoglutarateNH,lactateNH,lactoseNH,lactuloseNH,leucineisoLNH,leucineLNH, lyxoseNH,malateNH,maleateNH,maltoseNH,malylcoANH,mannitol1phosNH,mannitolDNH, mannoseNH,mannose1phosNH,mannose6phosNH,methaneaqNH,methanegNH,methanolNH, methionineLNH,methyl2oxopentanoateNH,methylmalateNH,methylmaleateNH, methylmalonylcoANH,n2aqNH,n2gNH,n2oaqNH,nadoxNH,nadpoxNH,nadpredNH,nadredNH, nicotinamideribonucleotideNH,nitrateNH,nitriteNH,noaqNH,o2aqNH,o2gNH, oxalateNH,oxaloacetateNH,oxalosuccinateNH,oxalylcoANH,oxoprolineNH, palmitateNH,pepNH,phenylalanineLNH,phosphoglycerate2NH,phosphoglycerate3NH, phosphohydroxypyruvateNH,phosphoserineNH,piNH,ppiNH,propanol2NH,propanolnNH, propanoylcoANH,prppNH,pyruvateNH,retinalNH,retinolNH,ribitolNH,riboseNH, ribose1phosNH,ribose5phosNH,ribuloseNH,ribulose5phosNH,serineLNH,sorbitolNH, sorbitol6phosNH,sorboseNH,succinateNH,succinylcoANH,sucroseNH,sulfateNH, sulfiteNH,sulfurcrNH,thioredoxinoxNH,thioredoxinredNH,threonineNH, transcinnamateNH,trehaloseNH,tryptophanLNH,tyrosineLNH,ubiquinoneoxNH, ubiquinoneredNH,urateNH,ureaNH,uricacidNH,valineLNH,xylitolNH,xyloseNH, xyluloseNH] Evaluate[{acetaldehydeNH,acetateNH,acetoacetateNH,acetoacetylcoANH,acetoneNH, acetylcoANH,acetylphosNH,aconitatecisNH,adenineNH,adenosineNH, adenosinephosphosulfateNH,adpNH,alanineNH,ammoniaNH,ampNH,arabinoseNH, arabinose5phosNH,asparagineLNH,aspartateNH,atpNH,bpgNH,butanalNH,butanolnNH, butyrateNH,cellobioseNH,citrateNH,citrateisoNH,co2gNH,co2totNH,coANH, coAglutathioneNH,coaqNH,cogNH,creatineNH,creatinineNH,cyclicampNH,cysteineLNH, cystineLNH,cytochromecoxNH,cytochromecredNH,deoxyadenosineNH,deoxyadpNH, deoxyampNH,deoxyatpNH,deoxyriboseNH,deoxyribose1phosNH,deoxyribose5phosNH, dihydroxyacetoneNH,dihydroxyacetonephosNH,ethaneaqNH,ethanolNH, ethylacetateNH,fadenzoxNH,fadenzredNH,fadoxNH,fadredNH,ferredoxinoxNH, ferredoxinredNH,ferricNH,ferrousNH,fmnoxNH,fmnredNH,formateNH,fructoseNH, fructose16phosNH,fructose6phosNH,fumarateNH,galactono14lactoneNH, galactoseNH,galactose1phosNH,galactose6phosNH,gluconolactoneNH, gluconolactone6phosNH,glucoseNH,glucose1phosNH,glucose6phosNH,glutamateNH, glutamineNH,glutathioneoxNH,glutathioneredNH,glyceraldehydeNH, glyceraldehydephosNH,glycerateNH,glycerolNH,glycerol3phosNH,glycineNH, glycolateNH,glycylglycineNH,glyoxylateNH,h2aqNH,h2gNH,h2oNH,h2o2aqNH, h2saqNH,hydroxy2oxoglutarateNH,hydroxyglutarateNH,hydroxypropionatebNH, hydroxypyruvateNH,hypoxanthineNH,i2crNH,iditolNH,idpNH,impNH,indoleNH, inosineNH,iodideionNH,isomaltoseNH,itpNH,ketoglutaramateNH, ketoglutarateNH,lactateNH,lactoseNH,lactuloseNH,leucineisoLNH,leucineLNH, lyxoseNH,malateNH,maleateNH,maltoseNH,malylcoANH,mannitol1phosNH,mannitolDNH, mannoseNH,mannose1phosNH,mannose6phosNH,methaneaqNH,methanegNH,methanolNH, methionineLNH,methyl2oxopentanoateNH,methylmalateNH,methylmaleateNH, methylmalonylcoANH,n2aqNH,n2gNH,n2oaqNH,nadoxNH,nadpoxNH,nadpredNH,nadredNH, nicotinamideribonucleotideNH,nitrateNH,nitriteNH,noaqNH,o2aqNH,o2gNH, oxalateNH,oxaloacetateNH,oxalosuccinateNH,oxalylcoANH,oxoprolineNH, palmitateNH,pepNH,phenylalanineLNH,phosphoglycerate2NH,phosphoglycerate3NH, phosphohydroxypyruvateNH,phosphoserineNH,piNH,ppiNH,propanol2NH,propanolnNH, propanoylcoANH,prppNH,pyruvateNH,retinalNH,retinolNH,ribitolNH,riboseNH, ribose1phosNH,ribose5phosNH,ribuloseNH,ribulose5phosNH,serineLNH,sorbitolNH, sorbitol6phosNH,sorboseNH,succinateNH,succinylcoANH,sucroseNH,sulfateNH, sulfiteNH,sulfurcrNH,thioredoxinoxNH,thioredoxinredNH,threonineNH, transcinnamateNH,trehaloseNH,tryptophanLNH,tyrosineLNH,ubiquinoneoxNH, ubiquinoneredNH,urateNH,ureaNH,uricacidNH,valineLNH,xylitolNH,xyloseNH, xyluloseNH}]=Map[calcNHmat,{acetaldehydesp,acetatesp,acetoacetatesp, acetoacetylcoAsp,acetonesp, acetylcoAsp,acetylphossp,aconitatecissp,adeninesp,adenosinesp, adenosinephosphosulfatesp,adpsp,alaninesp,ammoniasp,ampsp,arabinosesp, arabinose5phossp,asparagineLsp,aspartatesp,atpsp,bpgsp,butanalsp,butanolnsp, butyratesp,cellobiosesp,citratesp,citrateisosp,co2gsp,co2totsp,coAsp, coAglutathionesp,coaqsp,cogsp,creatinesp,creatininesp,cyclicampsp,cysteineLsp, cystineLsp,cytochromecoxsp,cytochromecredsp,deoxyadenosinesp,deoxyadpsp, deoxyampsp,deoxyatpsp,deoxyribosesp,deoxyribose1phossp,deoxyribose5phossp, dihydroxyacetonesp,dihydroxyacetonephossp,ethaneaqsp,ethanolsp, ethylacetatesp,fadenzoxsp,fadenzredsp,fadoxsp,fadredsp,ferredoxinoxsp, ferredoxinredsp,ferricsp,ferroussp,fmnoxsp,fmnredsp,formatesp,fructosesp, fructose16phossp,fructose6phossp,fumaratesp,galactono14lactonesp, galactosesp,galactose1phossp,galactose6phossp,gluconolactonesp, gluconolactone6phossp,glucosesp,glucose1phossp,glucose6phossp,glutamatesp, glutaminesp,glutathioneoxsp,glutathioneredsp,glyceraldehydesp, glyceraldehydephossp,glyceratesp,glycerolsp,glycerol3phossp,glycinesp, glycolatesp,glycylglycinesp,glyoxylatesp,h2aqsp,h2gsp,h2osp,h2o2aqsp, h2saqsp,hydroxy2oxoglutaratesp,hydroxyglutaratesp,hydroxypropionatebsp, hydroxypyruvatesp,hypoxanthinesp,i2crsp,iditolsp,idpsp,impsp,indolesp, inosinesp,iodideionsp,isomaltosesp,itpsp,ketoglutaramatesp, ketoglutaratesp,lactatesp,lactosesp,lactulosesp,leucineisoLsp,leucineLsp, lyxosesp,malatesp,maleatesp,maltosesp,malylcoAsp,mannitol1phossp,mannitolDsp, mannosesp,mannose1phossp,mannose6phossp,methaneaqsp,methanegsp,methanolsp, methionineLsp,methyl2oxopentanoatesp,methylmalatesp,methylmaleatesp, methylmalonylcoAsp,n2aqsp,n2gsp,n2oaqsp,nadoxsp,nadpoxsp,nadpredsp,nadredsp, nicotinamideribonucleotidesp,nitratesp,nitritesp,noaqsp,o2aqsp,o2gsp, oxalatesp,oxaloacetatesp,oxalosuccinatesp,oxalylcoAsp,oxoprolinesp, palmitatesp,pepsp,phenylalanineLsp,phosphoglycerate2sp,phosphoglycerate3sp, phosphohydroxypyruvatesp,phosphoserinesp,pisp,ppisp,propanol2sp,propanolnsp, propanoylcoAsp,prppsp,pyruvatesp,retinalsp,retinolsp,ribitolsp,ribosesp, ribose1phossp,ribose5phossp,ribulosesp,ribulose5phossp,serineLsp,sorbitolsp, sorbitol6phossp,sorbosesp,succinatesp,succinylcoAsp,sucrosesp,sulfatesp, sulfitesp,sulfurcrsp,thioredoxinoxsp,thioredoxinredsp,threoninesp, transcinnamatesp,trehalosesp,tryptophanLsp,tyrosineLsp,ubiquinoneoxsp, ubiquinoneredsp,uratesp,ureasp,uricacidsp,valineLsp,xylitolsp,xylosesp, xylulosesp}]; Clear[acetaldehydeGT,acetateGT,acetoneGT,adenineGT,adenosineGT,adpGT, alanineGT,ammoniaGT,ampGT,arabinoseGT,asparagineLGT,aspartateGT,atpGT, citrateGT,co2gGT,co2totGT,coaqGT,cogGT,ethaneaqGT,ethanolGT,ethylacetateGT, ferricGT,ferrousGT,formateGT,fructoseGT,fructose16phosGT,fructose6phosGT, fumarateGT,galactoseGT,glucoseGT,glucose6phosGT,glutamateGT,glutamineGT, glycerolGT,glycerol3phosGT,glycineGT,glycylglycineGT,h2aqGT,h2gGT,h2oGT, h2o2aqGT,h2saqGT,i2crGT,idpGT,impGT,indoleGT,inosineGT,iodideionGT, isomaltoseGT,itpGT,ketoglutarateGT,lactateGT,lactoseGT,leucineLGT,malateGT, maltoseGT,mannoseGT,mannose6phosGT,methaneaqGT,methanegGT,methanolGT,n2aqGT, n2gGT,n2oaqGT,nadoxGT,nadpoxGT,nadpredGT,nadredGT,nitrateGT,nitriteGT, noaqGT,o2aqGT,o2gGT,oxaloacetateGT,pepGT,piGT,ppiGT,propanol2GT,pyruvateGT, riboseGT,ribose1phosGT,ribose5phosGT,ribuloseGT,sorboseGT,succinateGT, sucroseGT,sulfateGT,sulfiteGT,sulfurcrGT,tryptophanLGT,ureaGT,valineLGT, xyloseGT,xyluloseGT] Evaluate[{acetaldehydeGT,acetateGT,acetoneGT,adenineGT,adenosineGT,adpGT, alanineGT,ammoniaGT,ampGT,arabinoseGT,asparagineLGT,aspartateGT,atpGT, citrateGT,co2gGT,co2totGT,coaqGT,cogGT,ethaneaqGT,ethanolGT,ethylacetateGT, ferricGT,ferrousGT,formateGT,fructoseGT,fructose16phosGT,fructose6phosGT, fumarateGT,galactoseGT,glucoseGT,glucose6phosGT,glutamateGT,glutamineGT, glycerolGT,glycerol3phosGT,glycineGT,glycylglycineGT,h2aqGT,h2gGT,h2oGT, h2o2aqGT,h2saqGT,i2crGT,idpGT,impGT,indoleGT,inosineGT,iodideionGT, isomaltoseGT,itpGT,ketoglutarateGT,lactateGT,lactoseGT,leucineLGT,malateGT, maltoseGT,mannoseGT,mannose6phosGT,methaneaqGT,methanegGT,methanolGT,n2aqGT, n2gGT,n2oaqGT,nadoxGT,nadpoxGT,nadpredGT,nadredGT,nitrateGT,nitriteGT, noaqGT,o2aqGT,o2gGT,oxaloacetateGT,pepGT,piGT,ppiGT,propanol2GT,pyruvateGT, riboseGT,ribose1phosGT,ribose5phosGT,ribuloseGT,sorboseGT,succinateGT, sucroseGT,sulfateGT,sulfiteGT,sulfurcrGT,tryptophanLGT,ureaGT,valineLGT, xyloseGT,xyluloseGT}]=Map[derivetrGibbsT,{acetaldehydesp,acetatesp,acetonesp, adeninesp,adenosinesp,adpsp,alaninesp,ammoniasp,ampsp,arabinosesp, asparagineLsp,aspartatesp,atpsp,citratesp,co2gsp,co2totsp,coaqsp,cogsp, ethaneaqsp,ethanolsp,ethylacetatesp,ferricsp,ferroussp,formatesp,fructosesp, fructose16phossp,fructose6phossp,fumaratesp,galactosesp,glucosesp, glucose6phossp,glutamatesp,glutaminesp,glycerolsp,glycerol3phossp,glycinesp, glycylglycinesp,h2aqsp,h2gsp,h2osp,h2o2aqsp,h2saqsp,i2crsp,idpsp,impsp, indolesp,inosinesp,iodideionsp,isomaltosesp,itpsp,ketoglutaratesp,lactatesp, lactosesp,leucineLsp,malatesp,maltosesp,mannosesp,mannose6phossp, methaneaqsp,methanegsp,methanolsp,n2aqsp,n2gsp,n2oaqsp,nadoxsp,nadpoxsp, nadpredsp,nadredsp,nitratesp,nitritesp,noaqsp,o2aqsp,o2gsp,oxaloacetatesp, pepsp,pisp,ppisp,propanol2sp,pyruvatesp,ribosesp,ribose1phossp,ribose5phossp, ribulosesp,sorbosesp,succinatesp,sucrosesp,sulfatesp,sulfitesp,sulfurcrsp, tryptophanLsp,ureasp,valineLsp,xylosesp,xylulosesp}]; Clear[acetaldehydeHT,acetateHT,acetoneHT,adenineHT,adenosineHT,adpHT,alanineHT, ammoniaHT,ampHT,arabinoseHT,asparagineLHT,aspartateHT,atpHT,citrateHT,co2gHT, co2totHT,coaqHT,cogHT,ethaneaqHT,ethanolHT,ethylacetateHT,ferricHT,ferrousHT, formateHT,fructoseHT,fructose16phosHT,fructose6phosHT,fumarateHT,galactoseHT, glucoseHT,glucose6phosHT,glutamateHT,glutamineHT,glycerolHT,glycerol3phosHT, glycineHT,glycylglycineHT,h2aqHT,h2gHT,h2oHT,h2o2aqHT,h2saqHT,i2crHT,idpHT, impHT,indoleHT,inosineHT,iodideionHT,isomaltoseHT,itpHT,ketoglutarateHT, lactateHT,lactoseHT,leucineLHT,malateHT,maltoseHT,mannoseHT,mannose6phosHT, methaneaqHT,methanegHT,methanolHT,n2aqHT,n2gHT,n2oaqHT,nadoxHT,nadpoxHT, nadpredHT,nadredHT,nitrateHT,nitriteHT,noaqHT,o2aqHT,o2gHT,oxaloacetateHT, pepHT,piHT,ppiHT,propanol2HT,pyruvateHT,riboseHT,ribose1phosHT,ribose5phosHT, ribuloseHT,sorboseHT,succinateHT,sucroseHT,sulfateHT,sulfiteHT,sulfurcrHT, tryptophanLHT,ureaHT,valineLHT,xyloseHT,xyluloseHT] Evaluate[{acetaldehydeHT,acetateHT,acetoneHT,adenineHT,adenosineHT,adpHT,alanineHT, ammoniaHT,ampHT,arabinoseHT,asparagineLHT,aspartateHT,atpHT,citrateHT,co2gHT, co2totHT,coaqHT,cogHT,ethaneaqHT,ethanolHT,ethylacetateHT,ferricHT,ferrousHT, formateHT,fructoseHT,fructose16phosHT,fructose6phosHT,fumarateHT,galactoseHT, glucoseHT,glucose6phosHT,glutamateHT,glutamineHT,glycerolHT,glycerol3phosHT, glycineHT,glycylglycineHT,h2aqHT,h2gHT,h2oHT,h2o2aqHT,h2saqHT,i2crHT,idpHT, impHT,indoleHT,inosineHT,iodideionHT,isomaltoseHT,itpHT,ketoglutarateHT, lactateHT,lactoseHT,leucineLHT,malateHT,maltoseHT,mannoseHT,mannose6phosHT, methaneaqHT,methanegHT,methanolHT,n2aqHT,n2gHT,n2oaqHT,nadoxHT,nadpoxHT, nadpredHT,nadredHT,nitrateHT,nitriteHT,noaqHT,o2aqHT,o2gHT,oxaloacetateHT, pepHT,piHT,ppiHT,propanol2HT,pyruvateHT,riboseHT,ribose1phosHT,ribose5phosHT, ribuloseHT,sorboseHT,succinateHT,sucroseHT,sulfateHT,sulfiteHT,sulfurcrHT, tryptophanLHT,ureaHT,valineLHT,xyloseHT,xyluloseHT}]=Map[derivetrHT,{acetaldehydesp, acetatesp,acetonesp,adeninesp,adenosinesp,adpsp,alaninesp, ammoniasp,ampsp,arabinosesp,asparagineLsp,aspartatesp,atpsp,citratesp,co2gsp, co2totsp,coaqsp,cogsp,ethaneaqsp,ethanolsp,ethylacetatesp,ferricsp,ferroussp, formatesp,fructosesp,fructose16phossp,fructose6phossp,fumaratesp,galactosesp, glucosesp,glucose6phossp,glutamatesp,glutaminesp,glycerolsp,glycerol3phossp, glycinesp,glycylglycinesp,h2aqsp,h2gsp,h2osp,h2o2aqsp,h2saqsp,i2crsp,idpsp, impsp,indolesp,inosinesp,iodideionsp,isomaltosesp,itpsp,ketoglutaratesp, lactatesp,lactosesp,leucineLsp,malatesp,maltosesp,mannosesp,mannose6phossp, methaneaqsp,methanegsp,methanolsp,n2aqsp,n2gsp,n2oaqsp,nadoxsp,nadpoxsp, nadpredsp,nadredsp,nitratesp,nitritesp,noaqsp,o2aqsp,o2gsp,oxaloacetatesp, pepsp,pisp,ppisp,propanol2sp,pyruvatesp,ribosesp,ribose1phossp,ribose5phossp, ribulosesp,sorbosesp,succinatesp,sucrosesp,sulfatesp,sulfitesp,sulfurcrsp, tryptophanLsp,ureasp,valineLsp,xylosesp,xylulosesp}]; Clear[acetaldehydeST,acetateST,acetoneST,adenineST,adenosineST,adpST,alanineST, ammoniaST,ampST,arabinoseST,asparagineLST,aspartateST,atpST,citrateST,co2gST, co2totST,coaqST,cogST,ethaneaqST,ethanolST,ethylacetateST,ferricST,ferrousST, formateST,fructoseST,fructose16phosST,fructose6phosST,fumarateST,galactoseST, glucoseST,glucose6phosST,glutamateST,glutamineST,glycerolST,glycerol3phosST, glycineST,glycylglycineST,h2aqST,h2gST,h2oST,h2o2aqST,h2saqST,i2crST,idpST, impST,indoleST,inosineST,iodideionST,isomaltoseST,itpST,ketoglutarateST, lactateST,lactoseST,leucineLST,malateST,maltoseST,mannoseST,mannose6phosST, methaneaqST,methanegST,methanolST,n2aqST,n2gST,n2oaqST,nadoxST,nadpoxST, nadpredST,nadredST,nitrateST,nitriteST,noaqST,o2aqST,o2gST,oxaloacetateST, pepST,piST,ppiST,propanol2ST,pyruvateST,riboseST,ribose1phosST,ribose5phosST, ribuloseST,sorboseST,succinateST,sucroseST,sulfateST,sulfiteST,sulfurcrST, tryptophanLST,ureaST,valineLST,xyloseST,xyluloseST] Evaluate[{acetaldehydeST,acetateST,acetoneST,adenineST,adenosineST,adpST,alanineST, ammoniaST,ampST,arabinoseST,asparagineLST,aspartateST,atpST,citrateST,co2gST, co2totST,coaqST,cogST,ethaneaqST,ethanolST,ethylacetateST,ferricST,ferrousST, formateST,fructoseST,fructose16phosST,fructose6phosST,fumarateST,galactoseST, glucoseST,glucose6phosST,glutamateST,glutamineST,glycerolST,glycerol3phosST, glycineST,glycylglycineST,h2aqST,h2gST,h2oST,h2o2aqST,h2saqST,i2crST,idpST, impST,indoleST,inosineST,iodideionST,isomaltoseST,itpST,ketoglutarateST, lactateST,lactoseST,leucineLST,malateST,maltoseST,mannoseST,mannose6phosST, methaneaqST,methanegST,methanolST,n2aqST,n2gST,n2oaqST,nadoxST,nadpoxST, nadpredST,nadredST,nitrateST,nitriteST,noaqST,o2aqST,o2gST,oxaloacetateST, pepST,piST,ppiST,propanol2ST,pyruvateST,riboseST,ribose1phosST,ribose5phosST, ribuloseST,sorboseST,succinateST,sucroseST,sulfateST,sulfiteST,sulfurcrST, tryptophanLST,ureaST,valineLST,xyloseST,xyluloseST}]=Map[derivetrST,{acetaldehydesp, acetatesp,acetonesp,adeninesp,adenosinesp,adpsp,alaninesp, ammoniasp,ampsp,arabinosesp,asparagineLsp,aspartatesp,atpsp,citratesp,co2gsp, co2totsp,coaqsp,cogsp,ethaneaqsp,ethanolsp,ethylacetatesp,ferricsp,ferroussp, formatesp,fructosesp,fructose16phossp,fructose6phossp,fumaratesp,galactosesp, glucosesp,glucose6phossp,glutamatesp,glutaminesp,glycerolsp,glycerol3phossp, glycinesp,glycylglycinesp,h2aqsp,h2gsp,h2osp,h2o2aqsp,h2saqsp,i2crsp,idpsp, impsp,indolesp,inosinesp,iodideionsp,isomaltosesp,itpsp,ketoglutaratesp, lactatesp,lactosesp,leucineLsp,malatesp,maltosesp,mannosesp,mannose6phossp, methaneaqsp,methanegsp,methanolsp,n2aqsp,n2gsp,n2oaqsp,nadoxsp,nadpoxsp, nadpredsp,nadredsp,nitratesp,nitritesp,noaqsp,o2aqsp,o2gsp,oxaloacetatesp, pepsp,pisp,ppisp,propanol2sp,pyruvatesp,ribosesp,ribose1phossp,ribose5phossp, ribulosesp,sorbosesp,succinatesp,sucrosesp,sulfatesp,sulfitesp,sulfurcrsp, tryptophanLsp,ureasp,valineLsp,xylosesp,xylulosesp}]; Clear[acetaldehydeNHT,acetateNHT,acetoneNHT,adenineNHT,adenosineNHT,adpNHT, alanineNHT,ammoniaNHT,ampNHT,arabinoseNHT,asparagineLNHT,aspartateNHT,atpNHT, citrateNHT,co2gNHT,co2totNHT,coaqNHT,cogNHT,ethaneaqNHT,ethanolNHT, ethylacetateNHT,ferricNHT,ferrousNHT,formateNHT,fructoseNHT,fructose16phosNHT, fructose6phosNHT,fumarateNHT,galactoseNHT,glucoseNHT,glucose6phosNHT, glutamateNHT,glutamineNHT,glycerolNHT,glycerol3phosNHT,glycineNHT, glycylglycineNHT,h2aqNHT,h2gNHT,h2oNHT,h2o2aqNHT,h2saqNHT,i2crNHT,idpNHT, impNHT,indoleNHT,inosineNHT,iodideionNHT,isomaltoseNHT,itpNHT, ketoglutarateNHT,lactateNHT,lactoseNHT,leucineLNHT,malateNHT,maltoseNHT, mannoseNHT,mannose6phosNHT,methaneaqNHT,methanegNHT,methanolNHT,n2aqNHT, n2gNHT,n2oaqNHT,nadoxNHT,nadpoxNHT,nadpredNHT,nadredNHT,nitrateNHT,nitriteNHT, noaqNHT,o2aqNHT,o2gNHT,oxaloacetateNHT,pepNHT,piNHT,ppiNHT,propanol2NHT, pyruvateNHT,riboseNHT,ribose1phosNHT,ribose5phosNHT,ribuloseNHT,sorboseNHT, succinateNHT,sucroseNHT,sulfateNHT,sulfiteNHT,sulfurcrNHT,tryptophanLNHT, ureaNHT,valineLNHT,xyloseNHT,xyluloseNHT] Evaluate[{acetaldehydeNHT,acetateNHT,acetoneNHT,adenineNHT,adenosineNHT,adpNHT, alanineNHT,ammoniaNHT,ampNHT,arabinoseNHT,asparagineLNHT,aspartateNHT,atpNHT, citrateNHT,co2gNHT,co2totNHT,coaqNHT,cogNHT,ethaneaqNHT,ethanolNHT, ethylacetateNHT,ferricNHT,ferrousNHT,formateNHT,fructoseNHT,fructose16phosNHT, fructose6phosNHT,fumarateNHT,galactoseNHT,glucoseNHT,glucose6phosNHT, glutamateNHT,glutamineNHT,glycerolNHT,glycerol3phosNHT,glycineNHT, glycylglycineNHT,h2aqNHT,h2gNHT,h2oNHT,h2o2aqNHT,h2saqNHT,i2crNHT,idpNHT, impNHT,indoleNHT,inosineNHT,iodideionNHT,isomaltoseNHT,itpNHT, ketoglutarateNHT,lactateNHT,lactoseNHT,leucineLNHT,malateNHT,maltoseNHT, mannoseNHT,mannose6phosNHT,methaneaqNHT,methanegNHT,methanolNHT,n2aqNHT, n2gNHT,n2oaqNHT,nadoxNHT,nadpoxNHT,nadpredNHT,nadredNHT,nitrateNHT,nitriteNHT, noaqNHT,o2aqNHT,o2gNHT,oxaloacetateNHT,pepNHT,piNHT,ppiNHT,propanol2NHT, pyruvateNHT,riboseNHT,ribose1phosNHT,ribose5phosNHT,ribuloseNHT,sorboseNHT, succinateNHT,sucroseNHT,sulfateNHT,sulfiteNHT,sulfurcrNHT,tryptophanLNHT, ureaNHT,valineLNHT,xyloseNHT,xyluloseNHT}]=Map[deriveNHT,{acetaldehydesp, acetatesp,acetonesp,adeninesp,adenosinesp,adpsp,alaninesp, ammoniasp,ampsp,arabinosesp,asparagineLsp,aspartatesp,atpsp,citratesp,co2gsp, co2totsp,coaqsp,cogsp,ethaneaqsp,ethanolsp,ethylacetatesp,ferricsp,ferroussp, formatesp,fructosesp,fructose16phossp,fructose6phossp,fumaratesp,galactosesp, glucosesp,glucose6phossp,glutamatesp,glutaminesp,glycerolsp,glycerol3phossp, glycinesp,glycylglycinesp,h2aqsp,h2gsp,h2osp,h2o2aqsp,h2saqsp,i2crsp,idpsp, impsp,indolesp,inosinesp,iodideionsp,isomaltosesp,itpsp,ketoglutaratesp, lactatesp,lactosesp,leucineLsp,malatesp,maltosesp,mannosesp,mannose6phossp, methaneaqsp,methanegsp,methanolsp,n2aqsp,n2gsp,n2oaqsp,nadoxsp,nadpoxsp, nadpredsp,nadredsp,nitratesp,nitritesp,noaqsp,o2aqsp,o2gsp,oxaloacetatesp, pepsp,pisp,ppisp,propanol2sp,pyruvatesp,ribosesp,ribose1phossp,ribose5phossp, ribulosesp,sorbosesp,succinatesp,sucrosesp,sulfatesp,sulfitesp,sulfurcrsp, tryptophanLsp,ureasp,valineLsp,xylosesp,xylulosesp}]; End[] Protect [t,pH, is, acetaldehydesp,acetatesp,acetoacetatesp,acetoacetylcoAsp,acetonesp, acetylcoAsp,acetylphossp,aconitatecissp,adeninesp,adenosinesp, adenosinephosphosulfatesp,adpsp,alaninesp,ammoniasp,ampsp,arabinosesp, arabinose5phossp,asparagineLsp,aspartatesp,atpsp,bpgsp,butanalsp,butanolnsp, butyratesp,cellobiosesp,citratesp,citrateisosp,co2gsp,co2totsp,coAsp, coAglutathionesp,coaqsp,cogsp,creatinesp,creatininesp,cyclicampsp,cysteineLsp, cystineLsp,cytochromecoxsp,cytochromecredsp,deoxyadenosinesp,deoxyadpsp, deoxyampsp,deoxyatpsp,deoxyribosesp,deoxyribose1phossp,deoxyribose5phossp, dihydroxyacetonesp,dihydroxyacetonephossp,ethaneaqsp,ethanolsp, ethylacetatesp,fadenzoxsp,fadenzredsp,fadoxsp,fadredsp,ferredoxinoxsp, ferredoxinredsp,ferricsp,ferroussp,fmnoxsp,fmnredsp,formatesp,fructosesp, fructose16phossp,fructose6phossp,fumaratesp,galactono14lactonesp, galactosesp,galactose1phossp,galactose6phossp,gluconolactonesp, gluconolactone6phossp,glucosesp,glucose1phossp,glucose6phossp,glutamatesp, glutaminesp,glutathioneoxsp,glutathioneredsp,glyceraldehydesp, glyceraldehydephossp,glyceratesp,glycerolsp,glycerol3phossp,glycinesp, glycolatesp,glycylglycinesp,glyoxylatesp,h2aqsp,h2gsp,h2osp,h2o2aqsp, h2saqsp,hydroxy2oxoglutaratesp,hydroxyglutaratesp,hydroxypropionatebsp, hydroxypyruvatesp,hypoxanthinesp,i2crsp,iditolsp,idpsp,impsp,indolesp, inosinesp,iodideionsp,isomaltosesp,itpsp,ketoglutaramatesp, ketoglutaratesp,lactatesp,lactosesp,lactulosesp,leucineisoLsp,leucineLsp, lyxosesp,malatesp,maleatesp,maltosesp,malylcoAsp,mannitol1phossp,mannitolDsp, mannosesp,mannose1phossp,mannose6phossp,methaneaqsp,methanegsp,methanolsp, methionineLsp,methyl2oxopentanoatesp,methylmalatesp,methylmaleatesp, methylmalonylcoAsp,n2aqsp,n2gsp,n2oaqsp,nadoxsp,nadpoxsp,nadpredsp,nadredsp, nicotinamideribonucleotidesp,nitratesp,nitritesp,noaqsp,o2aqsp,o2gsp, oxalatesp,oxaloacetatesp,oxalosuccinatesp,oxalylcoAsp,oxoprolinesp, palmitatesp,pepsp,phenylalanineLsp,phosphoglycerate2sp,phosphoglycerate3sp, phosphohydroxypyruvatesp,phosphoserinesp,pisp,ppisp,propanol2sp,propanolnsp, propanoylcoAsp,prppsp,pyruvatesp,retinalsp,retinolsp,ribitolsp,ribosesp, ribose1phossp,ribose5phossp,ribulosesp,ribulose5phossp,serineLsp,sorbitolsp, sorbitol6phossp,sorbosesp,succinatesp,succinylcoAsp,sucrosesp,sulfatesp, sulfitesp,sulfurcrsp,thioredoxinoxsp,thioredoxinredsp,threoninesp, transcinnamatesp,trehalosesp,tryptophanLsp,tyrosineLsp,ubiquinoneoxsp, ubiquinoneredsp,uratesp,ureasp,uricacidsp,valineLsp,xylitolsp,xylosesp, xylulosesp]; Protect[acetaldehyde,acetate,acetoacetate,acetoacetylcoA,acetone,acetylcoA, acetylphos,aconitatecis,adenine,adenosine,adenosinephosphosulfate,adp,alanine, ammonia,amp,arabinose,arabinose5phos,asparagineL,aspartate,atp,bpg,butanal, butanoln,butyrate,cellobiose,citrate,citrateiso,co2g,co2tot,coA, coAglutathione,coaq,cog,creatine,creatinine,cyclicamp,cysteineL,cystineL, cytochromecox,cytochromecred,deoxyadenosine,deoxyadp,deoxyamp,deoxyatp, deoxyribose,deoxyribose1phos,deoxyribose5phos,dihydroxyacetone, dihydroxyacetonephos,ethaneaq,ethanol,ethylacetate,fadenzox,fadenzred,fadox, fadred,ferredoxinox,ferredoxinred,ferric,ferrous,fmnox,fmnred,formate, fructose,fructose16phos,fructose6phos,fumarate,galactono14lactone,galactose, galactose1phos,galactose6phos,gluconolactone,gluconolactone6phos,glucose, glucose1phos,glucose6phos,glutamate,glutamine,glutathioneox,glutathionered, glyceraldehyde,glyceraldehydephos,glycerate,glycerol,glycerol3phos,glycine, glycolate,glycylglycine,glyoxylate,h2aq,h2g,h2o,h2o2aq,h2saq, hydroxy2oxoglutarate,hydroxyglutarate,hydroxypropionateb,hydroxypyruvate, hypoxanthine,i2cr,iditol,idp,imp,indole,inosine,iodideion,isomaltose,itp, ketoglutaramate,ketoglutarate,lactate,lactose,lactulose,leucineisoL, leucineL,lyxose,malate,maleate,maltose,malylcoA,mannitol1phos,mannitolD, mannose,mannose1phos,mannose6phos,methaneaq,methaneg,methanol,methionineL, methyl2oxopentanoate,methylmalate,methylmaleate,methylmalonylcoA,n2aq,n2g, n2oaq,nadox,nadpox,nadpred,nadred,nicotinamideribonucleotide,nitrate, nitrite,noaq,o2aq,o2g,oxalate,oxaloacetate,oxalosuccinate,oxalylcoA, oxoproline,palmitate,pep,phenylalanineL,phosphoglycerate2,phosphoglycerate3, phosphohydroxypyruvate,phosphoserine,pi,ppi,propanol2,propanoln, propanoylcoA,prpp,pyruvate,retinal,retinol,ribitol,ribose,ribose1phos, ribose5phos,ribulose,ribulose5phos,serineL,sorbitol,sorbitol6phos,sorbose, succinate,succinylcoA,sucrose,sulfate,sulfite,sulfurcr,thioredoxinox, thioredoxinred,threonine,transcinnamate,trehalose,tryptophanL,tyrosineL, ubiquinoneox,ubiquinonered,urate,urea,uricacid,valineL,xylitol,xylose, xylulose]; Protect[acetaldehydeNH,acetateNH,acetoacetateNH,acetoacetylcoANH,acetoneNH, acetylcoANH,acetylphosNH,aconitatecisNH,adenineNH,adenosineNH, adenosinephosphosulfateNH,adpNH,alanineNH,ammoniaNH,ampNH,arabinoseNH, arabinose5phosNH,asparagineLNH,aspartateNH,atpNH,bpgNH,butanalNH,butanolnNH, butyrateNH,cellobioseNH,citrateNH,citrateisoNH,co2gNH,co2totNH,coANH, coAglutathioneNH,coaqNH,cogNH,creatineNH,creatinineNH,cyclicampNH,cysteineLNH, cystineLNH,cytochromecoxNH,cytochromecredNH,deoxyadenosineNH,deoxyadpNH, deoxyampNH,deoxyatpNH,deoxyriboseNH,deoxyribose1phosNH,deoxyribose5phosNH, dihydroxyacetoneNH,dihydroxyacetonephosNH,ethaneaqNH,ethanolNH, ethylacetateNH,fadenzoxNH,fadenzredNH,fadoxNH,fadredNH,ferredoxinoxNH, ferredoxinredNH,ferricNH,ferrousNH,fmnoxNH,fmnredNH,formateNH,fructoseNH, fructose16phosNH,fructose6phosNH,fumarateNH,galactono14lactoneNH, galactoseNH,galactose1phosNH,galactose6phosNH,gluconolactoneNH, gluconolactone6phosNH,glucoseNH,glucose1phosNH,glucose6phosNH,glutamateNH, glutamineNH,glutathioneoxNH,glutathioneredNH,glyceraldehydeNH, glyceraldehydephosNH,glycerateNH,glycerolNH,glycerol3phosNH,glycineNH, glycolateNH,glycylglycineNH,glyoxylateNH,h2aqNH,h2gNH,h2oNH,h2o2aqNH, h2saqNH,hydroxy2oxoglutarateNH,hydroxyglutarateNH,hydroxypropionatebNH, hydroxypyruvateNH,hypoxanthineNH,i2crNH,iditolNH,idpNH,impNH,indoleNH, inosineNH,iodideionNH,isomaltoseNH,itpNH,ketoglutaramateNH, ketoglutarateNH,lactateNH,lactoseNH,lactuloseNH,leucineisoLNH,leucineLNH, lyxoseNH,malateNH,maleateNH,maltoseNH,malylcoANH,mannitol1phosNH,mannitolDNH, mannoseNH,mannose1phosNH,mannose6phosNH,methaneaqNH,methanegNH,methanolNH, methionineLNH,methyl2oxopentanoateNH,methylmalateNH,methylmaleateNH, methylmalonylcoANH,n2aqNH,n2gNH,n2oaqNH,nadoxNH,nadpoxNH,nadpredNH,nadredNH, nicotinamideribonucleotideNH,nitrateNH,nitriteNH,noaqNH,o2aqNH,o2gNH, oxalateNH,oxaloacetateNH,oxalosuccinateNH,oxalylcoANH,oxoprolineNH, palmitateNH,pepNH,phenylalanineLNH,phosphoglycerate2NH,phosphoglycerate3NH, phosphohydroxypyruvateNH,phosphoserineNH,piNH,ppiNH,propanol2NH,propanolnNH, propanoylcoANH,prppNH,pyruvateNH,retinalNH,retinolNH,ribitolNH,riboseNH, ribose1phosNH,ribose5phosNH,ribuloseNH,ribulose5phosNH,serineLNH,sorbitolNH, sorbitol6phosNH,sorboseNH,succinateNH,succinylcoANH,sucroseNH,sulfateNH, sulfiteNH,sulfurcrNH,thioredoxinoxNH,thioredoxinredNH,threonineNH, transcinnamateNH,trehaloseNH,tryptophanLNH,tyrosineLNH,ubiquinoneoxNH, ubiquinoneredNH,urateNH,ureaNH,uricacidNH,valineLNH,xylitolNH,xyloseNH, xyluloseNH]; Protect[acetaldehydeGT,acetateGT,acetoneGT,adenineGT,adenosineGT,adpGT, alanineGT,ammoniaGT,ampGT,arabinoseGT,asparagineLGT,aspartateGT,atpGT, citrateGT,co2gGT,co2totGT,coaqGT,cogGT,ethaneaqGT,ethanolGT,ethylacetateGT, ferricGT,ferrousGT,formateGT,fructoseGT,fructose16phosGT,fructose6phosGT, fumarateGT,galactoseGT,glucoseGT,glucose6phosGT,glutamateGT,glutamineGT, glycerolGT,glycerol3phosGT,glycineGT,glycylglycineGT,h2aqGT,h2gGT,h2oGT, h2o2aqGT,h2saqGT,i2crGT,idpGT,impGT,indoleGT,inosineGT,iodideionGT, isomaltoseGT,itpGT,ketoglutarateGT,lactateGT,lactoseGT,leucineLGT,malateGT, maltoseGT,mannoseGT,mannose6phosGT,methaneaqGT,methanegGT,methanolGT,n2aqGT, n2gGT,n2oaqGT,nadoxGT,nadpoxGT,nadpredGT,nadredGT,nitrateGT,nitriteGT, noaqGT,o2aqGT,o2gGT,oxaloacetateGT,pepGT,piGT,ppiGT,propanol2GT,pyruvateGT, riboseGT,ribose1phosGT,ribose5phosGT,ribuloseGT,sorboseGT,succinateGT, sucroseGT,sulfateGT,sulfiteGT,sulfurcrGT,tryptophanLGT,ureaGT,valineLGT, xyloseGT,xyluloseGT]; Protect[ acetaldehydeHT,acetateHT,acetoneHT,adenineHT,adenosineHT,adpHT,alanineHT, ammoniaHT,ampHT,arabinoseHT,asparagineLHT,aspartateHT,atpHT,citrateHT,co2gHT, co2totHT,coaqHT,cogHT,ethaneaqHT,ethanolHT,ethylacetateHT,ferricHT,ferrousHT, formateHT,fructoseHT,fructose16phosHT,fructose6phosHT,fumarateHT,galactoseHT, glucoseHT,glucose6phosHT,glutamateHT,glutamineHT,glycerolHT,glycerol3phosHT, glycineHT,glycylglycineHT,h2aqHT,h2gHT,h2oHT,h2o2aqHT,h2saqHT,i2crHT,idpHT, impHT,indoleHT,inosineHT,iodideionHT,isomaltoseHT,itpHT,ketoglutarateHT, lactateHT,lactoseHT,leucineLHT,malateHT,maltoseHT,mannoseHT,mannose6phosHT, methaneaqHT,methanegHT,methanolHT,n2aqHT,n2gHT,n2oaqHT,nadoxHT,nadpoxHT, nadpredHT,nadredHT,nitrateHT,nitriteHT,noaqHT,o2aqHT,o2gHT,oxaloacetateHT, pepHT,piHT,ppiHT,propanol2HT,pyruvateHT,riboseHT,ribose1phosHT,ribose5phosHT, ribuloseHT,sorboseHT,succinateHT,sucroseHT,sulfateHT,sulfiteHT,sulfurcrHT, tryptophanLHT,ureaHT,valineLHT,xyloseHT,xyluloseHT]; Protect[acetaldehydeST,acetateST,acetoneST,adenineST,adenosineST,adpST,alanineST, ammoniaST,ampST,arabinoseST,asparagineLST,aspartateST,atpST,citrateST,co2gST, co2totST,coaqST,cogST,ethaneaqST,ethanolST,ethylacetateST,ferricST,ferrousST, formateST,fructoseST,fructose16phosST,fructose6phosST,fumarateST,galactoseST, glucoseST,glucose6phosST,glutamateST,glutamineST,glycerolST,glycerol3phosST, glycineST,glycylglycineST,h2aqST,h2gST,h2oST,h2o2aqST,h2saqST,i2crST,idpST, impST,indoleST,inosineST,iodideionST,isomaltoseST,itpST,ketoglutarateST, lactateST,lactoseST,leucineLST,malateST,maltoseST,mannoseST,mannose6phosST, methaneaqST,methanegST,methanolST,n2aqST,n2gST,n2oaqST,nadoxST,nadpoxST, nadpredST,nadredST,nitrateST,nitriteST,noaqST,o2aqST,o2gST,oxaloacetateST, pepST,piST,ppiST,propanol2ST,pyruvateST,riboseST,ribose1phosST,ribose5phosST, ribuloseST,sorboseST,succinateST,sucroseST,sulfateST,sulfiteST,sulfurcrST, tryptophanLST,ureaST,valineLST,xyloseST,xyluloseST]; Protect[acetaldehydeNHT,acetateNHT,acetoneNHT,adenineNHT,adenosineNHT,adpNHT, alanineNHT,ammoniaNHT,ampNHT,arabinoseNHT,asparagineLNHT,aspartateNHT,atpNHT, citrateNHT,co2gNHT,co2totNHT,coaqNHT,cogNHT,ethaneaqNHT,ethanolNHT, ethylacetateNHT,ferricNHT,ferrousNHT,formateNHT,fructoseNHT,fructose16phosNHT, fructose6phosNHT,fumarateNHT,galactoseNHT,glucoseNHT,glucose6phosNHT, glutamateNHT,glutamineNHT,glycerolNHT,glycerol3phosNHT,glycineNHT, glycylglycineNHT,h2aqNHT,h2gNHT,h2oNHT,h2o2aqNHT,h2saqNHT,i2crNHT,idpNHT, impNHT,indoleNHT,inosineNHT,iodideionNHT,isomaltoseNHT,itpNHT, ketoglutarateNHT,lactateNHT,lactoseNHT,leucineLNHT,malateNHT,maltoseNHT, mannoseNHT,mannose6phosNHT,methaneaqNHT,methanegNHT,methanolNHT,n2aqNHT, n2gNHT,n2oaqNHT,nadoxNHT,nadpoxNHT,nadpredNHT,nadredNHT,nitrateNHT,nitriteNHT, noaqNHT,o2aqNHT,o2gNHT,oxaloacetateNHT,pepNHT,piNHT,ppiNHT,propanol2NHT, pyruvateNHT,riboseNHT,ribose1phosNHT,ribose5phosNHT,ribuloseNHT,sorboseNHT, succinateNHT,sucroseNHT,sulfateNHT,sulfiteNHT,sulfurcrNHT,tryptophanLNHT, ureaNHT,valineLNHT,xyloseNHT,xyluloseNHT]; EndPackage[]