101acetyl-CoA (ACoA)C23H38N7O17P3S02adenosine diphosphate (ADP)C10H15N5O10P2-33adenosine triphosphate (ATP)C10H16N5O13P3-441,3-bisphosphoglycerate (BPG)C3H8O10P2-45citric acid (CIT)C6H8O7-36coenzyme A (COAS)C21H36N7O16P3S-17carbon dioxide (total)CO2-28dihydroxyacetone phosphate (DHAP)C3H7O6P-29erythrose 4-phosphate (E4P)C4H9O7P-210D-fructose 6-phosphate (F6P)C6H13O9P-211D-fructose 1,6-phosphate (F16P)C6H14O12P2-412fumaric acid (FUM)C4H4O4-213D-glucose 6-phosphate (G6P)C6H13O9P-214D-glyceraldehyde 3-phosphate (GAP)C3H7O6P-215guanosine diphosphate (GDP)C10H15N5O11P2-316D-glucose (GLC)C6H12O6017guanosine triphosphate (GTP)C10H16N5O14P3-418waterH2O019isocitric acid (ISCIT)C6H8O7-320α-ketoglutaric acid /2-oxoglutaric acid (AKG)C5H6O5-221malic acid (MAL)C4H6O5-222nicotinamide adenine dinucleotide (ox) (NAD)C21H27N7O14P2-123nicotinamide adenine dinucleotide (red) (NADH)C21H28N7O14P2-224nicotinamide adenine dinucleotide phosphate (ox) (NADP)C21H29N7O17P3-325nicotinamide adenine dinucleotide phosphate (red) (NADPH)C21H30N7O17P3-426oxaloacetic acid (OAA)C4H4O5-227orthophosphate (Pi)H2PO4-2282-phosphoglyceric acid (PG2)C3H7O7P-3293-phosphoglyceric acid (PG3)C3H7O7P-330phosphoenolpyruvic acid (PEP)C3H5O6O-3316-phosphoglucono-lactone (PGLT)C6H11O9P-2326-phosphogluconate (PGN)C6H13O10P-333pyruvic acid (PYR)C3H4O3-134ribose 5-phosphate (R5P)C5H11O8P-235ribulose 5-phosphate (RU5P)C5H11O8P-236sedoheptulose 7-phosphate (S7P)C7H15O10P-237succinic acid (SUC)C4H6O4-238succinyl-CoA (SUCCoA)C25H40N7O19P3S-139xylulose 5-phosphate (X5P)C5H11O8P-240hydrogen ion (H)H+141ubiquinone (ox) (CoQ)C59H90O4042ubiquinone (red) (CoQH2)C59H92O4016-1Solution 13-1Solution 1131Solution 121Solution 1401Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationGoldberg applied ionization and buffer protonation corrections to obtain the reaction enthalpy value.1994GolTew0journalGoldberg, Robert N.Tewari, Yadu B.J. Phys. Chem. Ref. DataThermodynamics of Enzyme-Catalyzed Reactions: Part 2. Transferases547-617Pressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm301116.1942-23.80413-1Solution 1101Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationvon't Hoff equationPressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm30113.123211.53410-1Solution 13-1Solution 1111Solution 121Solution 1401Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationvalue obtained from Goldberg et al. where associated ionic strength is not reported1994GolTew0journalGoldberg, Robert N.Tewari, Yadu B.J. Phys. Chem. Ref. DataThermodynamics of Enzyme-Catalyzed Reactions: Part 2. Transferases547-617Pressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm301126.7942-9.50311-1Solution 181Solution 1141Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationvon't Hoff equationPressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm301118.794248.97414-1Solution 181Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationvalue calculated from sum of dependent reactions.Pressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm3011-7.01322.73311-1Solution 182Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationvon't Hoff equationPressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm301111.794251.70414-1Solution 127-1Solution 122-1Solution 141Solution 1231Solution 1401Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationValue is not availablePressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm301151.37420014-1Solution 127-1Solution 122-1Solution 12-1Solution 1291Solution 1231Solution 131Solution 1401Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationValue is not availablePressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm301134.37420028-1Solution 1291Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationvon't Hoff equationPressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm3011-5.893228.05428-1Solution 1301Solution 1181LiquidchemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationvon't Hoff equationPressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm3011-4.543215.10433-1Solution 13-1Solution 1301Solution 121Solution 1401Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationAverage value of 4.4 and 6.43 kJ/mol1994GolTew0journalGoldberg, Robert N.Tewari, Yadu B.J. Phys. Chem. Ref. DataThermodynamics of Enzyme-Catalyzed Reactions: Part 2. Transferases547-6172007GolTew0journalGoldberg, Robert N.Tewari, Yadu B.Bhat, Talapady N.J. Phys. Chem. Ref. DataThermodynamics of Enzyme-Catalyzed Reactions: Part 7- 2007 Update1347-97Pressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm301166.91425.415426-1Solution 11-1Solution 118-1Liquid51Solution 161Solution 1402Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationValue is not availablePressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm301160.15420019-1Solution 151Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationvon't Hoff equationPressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm3011-5.7532-20.00419-1Solution 124-1Solution 118-1Liquid201Solution 1251Solution 171Solution 1402Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationvon't Hoff equationPressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm301197.9442-22.17417-1Solution 137-1Solution 16-1Solution 140-1Solution 1151Solution 1271Solution 1381Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationvon't Hoff equationPressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm3011-56.5542-30.90412-1Solution 118-1Liquid211Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationvon't Hoff equationPressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm3011-3.3832-13.18421-1Solution 122-1Solution 1261Solution 1231Solution 1401Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationvon't Hoff equationPressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm301171.424251.2943-1Solution 115-1Solution 121Solution 1171Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationValue is not availablePressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm30110.02320022-1Solution 125-1Solution 1231Solution 1241Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationvalue obtained from Goldberg et al. where associated ionic strength is not reported1993GolTew0journalGoldberg, Robert N.Tewari, Yadu B.Bell, DonnaFazio, KariJ. Phys. Chem. Ref. DataThermodynamics of Enzyme-Catalyzed Reactions: Part 1. Oxidoreductases515-82Pressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm3011-3.4432-4.10321-1Solution 124-1Solution 118-1Liquid331Solution 1251Solution 171Solution 1402Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationValue is not availablePressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm3011104.49520021-1Solution 11-1Solution 122-1Solution 118-1Liquid51Solution 161Solution 1231Solution 1403Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationValue is not availablePressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm3011131.5752003-1Solution 122-1Solution 121Solution 1231Solution 1401Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationValue is not availablePressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm301126.9042003-1Solution 118-1Liquid21Solution 1271Solution 1401Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationGoldberg applied ionization and buffer protonation corrections to obtain the reaction enthalpy value.1994GolTew0journalGoldberg, Robert N.Tewari, Yadu B.J. Phys. Chem. Ref. DataThermodynamics of Enzyme-Catalyzed Reactions: Part 3. Hydrolases1035-103Pressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm30115.0032-20.50413-1Solution 118-1Liquid161Solution 1271Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationTewari et al. applied buffer protonation and ionization corrections to obtain the value.1994GolTew0journalGoldberg, Robert N.Tewari, Yadu B.J. Phys. Chem. Ref. DataThermodynamics of Enzyme-Catalyzed Reactions: Part 3. Hydrolases1035-103Pressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm3011-11.19420.91333-1Solution 13-1Solution 17-1Solution 1261Solution 121Solution 1271Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationValue is not availablePressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm3011-24.63420013-1Solution 124-1Solution 1311Solution 1251Solution 1401Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationValue is not availablePressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm301138.58420013-1Solution 124-1Solution 118-1Liquid321Solution 1251Solution 1402Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationValue is not availablePressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm301169.30420032-1Solution 124-1Solution 118-1Liquid351Solution 1251Solution 171Solution 1402Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationvon't Hoff equationPressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm3011104.655237.47434-1Solution 1351Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationvon't Hoff equationPressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm30110.993212.86435-1Solution 1391Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationValue is not availablePressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm3011-1.28320036-1Solution 114-1Solution 1341Solution 1391Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationValue is not availablePressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm30111.58320036-1Solution 114-1Solution 191Solution 1101Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationValue is not availablePressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm30112.72320010-1Solution 114-1Solution 191Solution 1391Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationValue is not availablePressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm30118.98320033-1Solution 16-1Solution 122-1Solution 118-1Solution 171Solution 111Solution 1231Solution 1401Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationMolar Gibbs energy of reaction is calculated according to R. A. Alberty’s database, and served as one constraint to perform the optimization in our modelbookAlberty, Robert A.2003Thermodynamics of Biochemical Reactions52-52Molar enthalpy of reaction, kJ/molBiochemical network calculationValue is not availablePressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm301115.78420019-1Solution 122-1Solution 118-1Solution 1201Solution 1231Solution 171Solution 1402Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationConstrained nonlinear optimizationA constrained nonlinear optimization procedure is used to minimize the difference between model predictions and experimental data (weighted in inverse proportion to the number of data points available for a given reaction).2Molar enthalpy of reaction, kJ/molBiochemical network calculationValue is calculated from sum of dependent reactionsPressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm301194.5042-26.27420-1Solution 122-1Solution 16-1Solution 118-1Solution 1381Solution 1231Solution 171Solution 1401Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationMolar Gibbs energy of reaction is calculated according to R. A. Alberty’s database, and served as one constraint to perform the optimization in our modelbookAlberty, Robert A.2003Thermodynamics of Biochemical Reactions52-52Molar enthalpy of reaction, kJ/molBiochemical network calculationValue is not availablePressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm301115.85420037-1Solution 141-1Solution 1121Solution 1421Solution 1chemicalOther reactions1Molar Gibbs energy of reaction, kJ/molBiochemical network calculationMolar Gibbs energy of reaction is calculated according to R. A. Alberty’s database, and served as one constraint to perform the optimization in our modelbookAlberty, Robert A.2003Thermodynamics of Biochemical Reactions52-52Molar enthalpy of reaction, kJ/molBiochemical network calculationValue is not availablePressure, kPa101.3256Temperature, K298.155Ionic strength (amount concentration basis), mol/dm3011-1.353200