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MetaCyc Compound Class: phenyllactate

Synonyms: phenyllactic acid

phenyllactate compound structure

Chemical Formula: C9H9O3

Instances:
(R)-phenyllactate

Molecular Weight: 165.17 Daltons

Monoisotopic Molecular Weight: 166.0629941873 Daltons

SMILES: C(C(CC1(=CC=CC=C1))O)([O-])=O

InChI: InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/p-1

InChIKey: InChIKey=VOXXWSYKYCBWHO-UHFFFAOYSA-M

Unification Links: ChEBI:8100 , ChemSpider:3275723 , PubChem:4060207

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 5.8280263 Inferred by computational analysis [Latendresse13]

Reactions known to produce the compound:

L-phenylalanine degradation IV (mammalian, via side chain) :
2-oxo-3-phenylpropanoate + an unknown reduced electron acceptor → phenyllactate + an unknown oxidized electron acceptor

This compound has been characterized as an alternative substrate of the following enzymes: indole-3-lactate dehydrogenase


References

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


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 19.0 on Wed Apr 1, 2015, biocyc14.