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MetaCyc Compound: 3,4,4-trihydroxy-5-phosphonooxypentan-2-one

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

Citations: [Marques11 ]

Chemical Formula: C5H9O8P

Molecular Weight: 228.1 Daltons

Monoisotopic Molecular Weight: 230.01915383989999 Daltons

3,4,4-trihydroxy-5-phosphonooxypentan-2-one compound structure

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 Formation (ΔfG in kcal/mol): -305.53815Inferred by computational analysis [Latendresse13]

In Reactions of unknown directionality:

Not in pathways:
3-hydroxy-5-phosphonooxypentane-2,4-dione + H2O = 3,4,4-trihydroxy-5-phosphonooxypentan-2-one

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 Pathway Tools version 19.5 (software by SRI International) on Sat Feb 13, 2016, biocyc13.