Selected Cell
Cell:
Value:
Raw data thermotable
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| 1752. UTP 13: HUTP3- | 9 | 12 | 2 | 15 | 3 | 0 | 0 | -3 | -3381.9 | O | -4162.7 | O | |
| 1753. UTP 14: UTP4- | 9 | 11 | 2 | 15 | 3 | 0 | 0 | -4 | -3341.9 | O | -4133.1 | O | |
| 1754. UTP 15: MgHUTP- | 9 | 12 | 2 | 15 | 3 | 0 | 1 | -1 | -3853.7 | O | -4615.33 | O | |
| 1755. UTP 16: MgUTP2- | 9 | 11 | 2 | 15 | 3 | 0 | 1 | -2 | -3813.7 | O | -4580.8 | O | |
| 1756. UTP 17: Mg2UTP by analogy to ATP note: MgH2UTP in ref O | 9 | 11 | 2 | 15 | 3 | 0 | 2 | -2 | -4285.5 | O | -5038.2 | O | |
| 1757. UTP 18: utp blend [H] | 9 | ? | 2 | 15 | 3 | 0 | 0 | ? | - | O | O | ||
| 1758. UTP 19: utp blend [Mg] | 9 | ? | 2 | 15 | 3 | 0 | ? | ? | - | O | O | ||
| 1759. UTP 20: utp omniblend [HMg] | 9 | ? | 2 | 15 | 3 | 0 | ? | ? | - | O | - | O | |
| 1760. VALERATE | |||||||||||||
| 1761. valerate- species | 5 | 9 | 0 | 2 | 0 | 0 | 0 | -1 | -344.34 | T-est | -430.42499999999995 | Htr | |
| 1762. valeric acid species neutral pentanoic acid | 5 | 10 | 0 | 2 | 0 | 0 | 0 | 0 | -364.1 | E | -455.125 | Htr | |
| 1763. VALINE | |||||||||||||
| 1764. valine 11: ValineL species (cr) | 5 | 11 | 1 | 2 | 0 | 0 | 0 | 0 | -358.98720000000003 | W | -617.9768 | W | |
| 1765. valine 20 | |||||||||||||
| 1766. valine 21: valineL species | 5 | 11 | 1 | 2 | 0 | 0 | 0 | 0 | -358.65 | AT | -611.99 | A | |
| 1767. valine 22: Valine L cation (aq) | 5 | 12 | 1 | 2 | 0 | 0 | 0 | 1 | -374.2 | E | -612.24472 | E<W | |
| 1768. valine 23: Valine L cation (aq) | 5 | 12 | 1 | 2 | 0 | 0 | 0 | 1 | -371.70656 | W | -612.24472 | W | |
| 1769. valine 24: Valine L dipolar ion (aq) | 5 | 11 | 1 | 2 | 0 | 0 | 0 | 0 | -358.65248 | W | -611.99368 | W | |
| 1770. valine 25: Valine L anion (aq) | 5 | 10 | 1 | 2 | 0 | 0 | 0 | -1 | -307.39848 | W | -567.43408 | W | |
| 1771. valine 26: Valine L blend | 5 | ? | 1 | 2 | 0 | 0 | 0 | ? | - | W | - | W | |
| 1772. valine 27: valineL species (eq.buf) | 5 | 10 | 1 | 2 | 0 | 0 | 0 | -1 | -358.65248 | W | -617.9768 | W | |
| 1773. valine 28: DL valine | 5 | 11 | 1 | 2 | 0 | 0 | 0 | 0 | -359.824 | W | -617.9768 | W | |
| 1774. XANTHINE | |||||||||||||
| 1775. xanthine 11: xanthine (cr) | 5 | 4 | 4 | 2 | 0 | 0 | 0 | 0 | -165.85 | T | -379.6 | O | |
| 1776. xanthine 12: xanthine (cr) | 5 | 4 | 4 | 2 | 0 | 0 | 0 | 0 | -165.7 | O | -379.6 | O | |
| 1777. xanthine 20 | |||||||||||||
| 1778. <empty row> | |||||||||||||
| 1779. xanthine 22: xanthine | 5 | 4 | 4 | 2 | 0 | 0 | 0 | 0 | -144 | O | -350.3 | O | |
| 1780. xanthine 23: xanthine- | 5 | 3 | 4 | 2 | 0 | 0 | 0 | -1 | -101 | O | -323.8 | O | |
| 1781. xanthine 24: xanthine2- | 5 | 2 | 4 | 2 | 0 | 0 | 0 | -2 | -33.4 | O | -283.6 | O | |
| 1782. xanthine 25: blend | 5 | ? | 4 | 2 | 0 | 0 | 0 | ? | - | O | - | O | |
| 1783. XYLITOL | |||||||||||||
| 1784. xylitol species | 5 | 12 | 0 | 5 | 0 | 0 | 0 | 0 | -784.09 | A | -1118.50872 | X<P | |
| 1785. xylitol species | 5 | 12 | 0 | 5 | 0 | 0 | 0 | 0 | -783.9 | E | -1118.50872 | X | |
| 1786. XYLOSE | |||||||||||||
| 1787. xylose alpha (cr) | 5 | 10 | 0 | 5 | 0 | 0 | 0 | 0 | -744.585 | G | -1057.8 | RP | |
| 1788. xylose species | 5 | 10 | 0 | 5 | 0 | 0 | 0 | 0 | -750.49 | A | -1045.94 | A | |
| 1789. xylose species | 5 | 10 | 0 | 5 | 0 | 0 | 0 | 0 | -750.1 | E | -1045.94 | E<A | |
| 1790. XYLULOSE5PHOSPHATE | |||||||||||||
| 1791. xylulose 5-phosphate2- | 5 | 9 | 0 | 8 | 1 | 0 | 0 | -2 | -1582.578 | G | -2029 | XX<=glucose versus gluc phosphate | |
| 1792. xylulose 5-phosphoric acid | 5 | 11 | 0 | 8 | 1 | 0 | 0 | 0 | -1644.8 | E | -2029 | XX<=glucose versus gluc phosphate | |
| 1793. XYLULOSE | |||||||||||||
| 1794. xylulose species | 5 | 10 | 0 | 5 | 0 | 0 | 0 | 0 | -746.15 | AG | -1029.65 | A | |
| 1795. xylulose species | 5 | 10 | 0 | 5 | 0 | 0 | 0 | 0 | -746.5 | E | -1029.65 | E<A | |
| 1796. ZINC (Zn) | |||||||||||||
| 1797. Zn (cr) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - | 0 | - | |
| 1798. Zn 2+ | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | -147.203 | C | -153.39 | G | |
| ADDENDA: | |||||||||||||
| 1171c. Mg2+ species (aq) see 1274 pMga=3, 3 mM Mg concentration | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | -455.3 | Ap111 | -467 | A | |
| FOOTNOTES | |||||||||||||
| Phases | |||||||||||||
| cr: crystalline | |||||||||||||
| a0 aqueous 1 M solution extraplated to zero concentration non ionized form | |||||||||||||
| ai as a0 but for salts assumed to be fully dissociated (ionized) see Z page 2-22 | |||||||||||||
| aq aqueous | |||||||||||||
| l: liquid form | |||||||||||||
| E: To obtain an estimate of the reference chemical potentials effectively used by Equilibator we queried that database for the chemical species at its settings pH=0, pMg=6, Ionic strength=0, abundance = 1M. For any nonprotonatable species this will address the chemical species that is also the majority subspecies at pH=7; its tranformed potentials will be relevant. For protonatable species with pKa <7 the transforms will address the nonabundant (at pH7) protonated species and will not be relevant at pH>6. For species with a pKa around or below 1 the species addressed will be a blend between two protonation states at pH0. In all these cases the element and charge composition at this pH=0 etc is given in the corresponding columns and then used in the transformations. When the pKa is around 1 these are estimates. An example of possible confusion is glutamate, where the species addressed at pH0 is NOT the glu+ cation but the glu-neutral species. But for leucine it is the monovalent cation that is addressed. All there remarks do not question the validity of Equilibrator values, just our attempt to extract reference chemical potentials. | |||||||||||||
| E?: uncertain interpretation of species at pH0 | |||||||||||||
| ?: The number of hydrogen atomsis not predefined | |||||||||||||
| The data sources for the standard chemical potentials and enthalpies of the Thermotable | |||||||||||||
| Source reference | Source code | ||||||||||||
| 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 |
