MetaCyc Compound Class: phenyllactate

Synonyms: phenyllactic acid

phenyllactate compound structure

Chemical Formula: C9H9O3


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


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


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

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Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
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