Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
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MetaCyc Compound: 3,4,4-trihydroxy-2-pentanone 5-phosphate

Synonyms: 3,4,4-trihydroxy-2-pentaone 5-phosphate, P-TPO

Citations: [Marques11]

Chemical Formula: C5H9O8P

Molecular Weight: 228.1 Daltons

Monoisotopic Molecular Weight: 230.01915383989999 Daltons

SMILES: CC(C(C(O)(O)COP([O-])(=O)[O-])O)=O

InChI: InChI=1S/C5H11O8P/c1-3(6)4(7)5(8,9)2-13-14(10,11)12/h4,7-9H,2H2,1H3,(H2,10,11,12)/p-2

InChIKey: InChIKey=RKCAPQYKXONRSI-UHFFFAOYSA-L

Unification Links: PubChem:54758587

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -305.53815 Inferred by computational analysis [Latendresse13]

In Reactions of unknown directionality:

Not in pathways:
3-hydroxy-2,4-pentadione 5-phosphate + H2O = 3,4,4-trihydroxy-2-pentanone 5-phosphate

Credits:
Created 11-Aug-2011 by Keseler I , SRI International


References

Latendresse13: Latendresse M. (2013). "Computing Gibbs Free Energy of Compounds and Reactions in MetaCyc."

Marques11: Marques JC, Lamosa P, Russell C, Ventura R, Maycock C, Semmelhack MF, Miller ST, Xavier KB (2011). "Processing the interspecies quorum-sensing signal autoinducer-2 (AI-2): characterization of phospho-(S)-4,5-dihydroxy-2,3-pentanedione isomerization by LsrG protein." J Biol Chem 286(20);18331-43. PMID: 21454635


Report Errors or Provide Feedback
Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
Page generated by SRI International Pathway Tools version 18.5 on Sun Nov 23, 2014, biocyc14.