Shortened Excel file of Thermotable (excel) computing standard (apparent) chemical potentials, standard biochemical potentials, and standard metabolic potentials

This is the abbreviated excel file used for the Thermotable calculations of Westerhoff et al (2026) FEBS J, in press entitled 'Metabolic thermodynamics: pertinent reference state and energy potentials'
It is also Supplement S4 of that paper.
As compared to the full file it addresses much fewer chemical species, but it does contain all the excel-based computation mechanisms, which are further explained in supplement S5 of the publication.
The Table allows variously transformed and gauge-shifted and reorganized standard chemical potentials.

It is based on standard chemical potentials obtained from a substantial number of literature sources, i.e.:

Alberty, R. A. 2006. Biochemical Thermodynamics: Applications of Mathematica (Wiley: Hoboken, NJ). A
Burton, K. and H.A. Krebs 1953. 'The free-energy changes associated with the individual steps of the tricarboxylic acid cycle, glycolysis and alcoholic fermentation and with the hydrolysis of the pyrophosphate groups of adenosinetriphosphate.', Biochem. J. 54, 94 -107. Bc
Cox, J. D., D. D. Wagman, and M. V. Medvedev. 1989. CODATA Key Values for Thermodynamics (HemispherePublishing Corp.: New York). C
eQuilibrator: The Biochemical Thermodynamics Calculator; Beber, M. E., M. G. Gollub, D. Mozaffari, K. M. Shebek, A. I. Flamholz, R. Milo, and E. Noor. 2022. 'eQuilibrator 3.0: a database solution for thermodynamic constant estimation', Nucleic Acids Res, 50: D603-d09. E
Ferguson, J.F. and Gavis, J. (1972) A Review of the Arsenic Cycle in Nature Waters. Water Research, 6, 1259-1274. page 1262. https://doi.org/10.1016/0043-1354(72)90052-8 F
Boerio-Goates, J., M. R. Francis, R. N. Goldberg, M.A.V. Ribeiro da Silva, M.D.M.C. Ribeiro da Silva, Y.B. Tewari. 2001. 'Thermochemistry of adenosine', The Journal of Chemical Thermodynamics 33, 929-947. https://doi.org/10.1006/jcht.2001.0820. Goldberg R. and Y. Tewari. 1989. 'Thermodynamic and Transport Properties of Carbohydrates and their Monophosphates: The Pentoses and Hexoses', Journal of Physical and Chemical Reference Data 18, 809-880. DOI: 10.1063/1.555831, pp. 872-874. Goldberg, R. N. 2009. 'Thermodynamics network calculations applied to biochemical substances and reactions.' in M.G. Hicks, Kettner, C. (ed.), PROCEEDINGS OF THE 4TH BEILSTEIN ESCEC SYMPOSIUM EXPERIMENTAL STANDARD CONDITIONS OF ENZYME CHARACTERIZATION (Beilstein-Institut). G
Stull, D. and Prophet, H. (1971), JANAF thermochemical tables, second edition: National Institute of Standards and Technology, Gaithersburg, MD, [online], https://doi.org/10.6028/NBS.NSRDS.37 (Accessed July 24, 2025) J
Miller, S.L., and D. Smith-Magowan. 1990. 'The Thermodynamics of the Krebs Cycle and Related Compounds', J. Phys. Chem. Ref. Data, 19: 1049-73. M
Ould-Moulaye, C.B., C.G. Dussap, J.B. Gros. 2001. ‘A consistent set of formation properties of nucleic acid compounds.’ Thermochimica Acta, 375. 93-107. doi:10.1016/s0040-6031(01)00522-6 and Ould-Moulaye, C.B., C.G Dussap, J.B Gros. 2002. 'A consistent set of formation properties of nucleic acid compounds: Nucleosides, nucleotides and nucleotide-phosphates in aqueous solution', Thermochimica Acta 387, 1-15. https://doi.org/10.1016/S0040-6031(01)00814-0 O
Cox, J.D. and G. Pilcher. 1970. 'Thermochemistry of Organic and Organometallic Compounds'. Academic Press, London and New York 1970. Pc
Pourbaix, M. 1974.  Atlas of electrochemical equilibria in aqueous solutions. Atlas d'équilibres électrochemiques. 2nd English ed. Imprint Houston, Tex.: National Association of Corrosion Engineers, 1974. sections 12.1 and 18.3. Pou
Pitzer, K.S. 1995. Thermodynamics (McGraw-Hill: New York). Q
Thauer, R. K., K. Jungermann, and K. Decker. 1977. 'Energy conservation in chemotrophic anaerobic bacteria', Bacteriol Rev, 41: 100-80. T
Robie, R.A., B.S. Hemingway, and J.R. Fisher. 1978. ' Thermodynamic properties of minerals and related substances at 298.15 K and 1 bar (105 pascals) pressure and at higher temperatures' Bulletin 1452, https://doi.org/10.3133/b1452 U
Wilhoit, R.C. 1969. 'Thermodynamic Properties of Biochemical Substances.' in H.D. Brown (ed.), Biochemical Microcalorimetry (Academic Press: New York). Wc
Wagman, D. D., W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, and R. L. Nutall. 1982. 'The NBS Tables of Chemical Thermodynamic Properties', J. Phys. Chem. Ref. Data, 11. Z

本文件为Westerhoff等人2026年发表于《FEBS Journal》（已录用待刊）、题为《代谢热力学：相关参考态与能量势》的研究中用于Thermotable（热表）计算的精简版Excel文件，同时也是该论文的补充材料S4。相较于完整版文件，本文件仅涵盖少量化学物种，但完整保留了所有基于Excel的计算机制，相关细节可参见该论文的补充材料S5。该表可实现标准化学势的各类变换、标度转换与重组操作。

本数据集所采用的标准化学势源自大量文献来源，具体如下：
1. Alberty, R. A. 2006. 《Biochemical Thermodynamics: Applications of Mathematica》（Wiley出版社：新泽西州霍博肯）。A
2. Burton, K. 与 Krebs, H.A. 1953. 《The free-energy changes associated with the individual steps of the tricarboxylic acid cycle, glycolysis and alcoholic fermentation and with the hydrolysis of the pyrophosphate groups of adenosinetriphosphate》，《Biochem. J.》54卷，94-107页。Bc
3. Cox, J.D., Wagman, D. D. 与 Medvedev, M. V. 1989. 《CODATA Key Values for Thermodynamics》（Hemisphere Publishing Corp.：纽约）。C
4. eQuilibrator：生化热力学计算器；Beber, M. E. 等. 2022. 《eQuilibrator 3.0: a database solution for thermodynamic constant estimation》，《Nucleic Acids Res》50卷：D603-d09。E
5. Ferguson, J.F. 与 Gavis, J. 1972. 《A Review of the Arsenic Cycle in Nature Waters》，《Water Research》6卷，1259-1274页，第1262页。https://doi.org/10.1016/0043-1354(72)90052-8 F
6. Boerio-Goates, J., Francis, M. R., Goldberg, R. N., Ribeiro da Silva, M.A.V., Ribeiro da Silva, M.D.M.C. 与 Tewari, Y.B. 2001. 《Thermochemistry of adenosine》，《The Journal of Chemical Thermodynamics》33卷，929-947页。https://doi.org/10.1006/jcht.2001.0820。
7. Goldberg R. 与 Tewari, Y. 1989. 《Thermodynamic and Transport Properties of Carbohydrates and their Monophosphates: The Pentoses and Hexoses》，《Journal of Physical and Chemical Reference Data》18卷，809-880页。DOI: 10.1063/1.555831，第872-874页。
8. Goldberg, R. N. 2009. 《Thermodynamics network calculations applied to biochemical substances and reactions》，收录于M.G. Hicks、C. Kettner主编，《第4届Beilstein ESCEC研讨会论文集：酶表征的实验标准条件》（Beilstein-Institut）。G
9. Stull, D. 与 Prophet, H. 1971. 《JANAF thermochemical tables》，第二版：美国国家标准与技术研究院，盖瑟斯堡，马里兰州，[在线资源]，https://doi.org/10.6028/NBS.NSRDS.37（2025年7月24日访问）。J
10. Miller, S.L. 与 Smith-Magowan, D. 1990. 《The Thermodynamics of the Krebs Cycle and Related Compounds》，《J. Phys. Chem. Ref. Data》19卷：1049-73。M
11. Ould-Moulaye, C.B., Dussap, C.G. 与 Gros, J.B. 2001. 《A consistent set of formation properties of nucleic acid compounds》，《Thermochimica Acta》375卷，93-107页。doi:10.1016/s0043-1354(01)00522-6；以及Ould-Moulaye, C.B., Dussap, C.G. 与 Gros, J.B. 2002. 《A consistent set of formation properties of nucleic acid compounds: Nucleosides, nucleotides and nucleotide-phosphates in aqueous solution》，《Thermochimica Acta》387卷，1-15页。https://doi.org/10.1016/S0040-6031(01)00814-0 O
12. Cox, J.D. 与 Pilcher, G. 1970. 《Thermochemistry of Organic and Organometallic Compounds》，Academic Press，伦敦与纽约。Pc
13. Pourbaix, M. 1974. 《Atlas of electrochemical equilibria in aqueous solutions》（《Atlas d'équilibres électrochemiques》，第2版英文本），休斯顿，德克萨斯州：美国腐蚀工程师协会，1974年，第12.1和18.3节。Pou
14. Pitzer, K.S. 1995. 《Thermodynamics》（McGraw-Hill：纽约）。Q
15. Thauer, R. K., Jungermann, K. 与 Decker, K. 1977. 《Energy conservation in chemotrophic anaerobic bacteria》，《Bacteriol Rev》41卷：100-80。T
16. Robie, R.A., Hemingway, B.S. 与 Fisher, J.R. 1978. 《Thermodynamic properties of minerals and related substances at 298.15 K and 1 bar (10^5 pascals) pressure and at higher temperatures》，《Bulletin 1452》，https://doi.org/10.3133/b1452 U
17. Wilhoit, R.C. 1969. 《Thermodynamic Properties of Biochemical Substances》，收录于H.D. Brown主编，《Biochemical Microcalorimetry》（Academic Press：纽约）。Wc
18. Wagman, D. D., Evans, W. H., Parker, V. B., Schumm, R. H., Halow, I., Bailey, S. M., Churney, K. L. 与 Nutall, R. L. 1982. 《The NBS Tables of Chemical Thermodynamic Properties》，《J. Phys. Chem. Ref. Data》11卷。Z