3-phenyl-2-oxopropanoate

Chemical Formula:

C₉H₇O₃

Molecular Weight:

163.152 Daltons

Monoisotopic Mass:

164.0473441231 Daltons

SMILES:

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

InChI:

1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)/p-1

InChIKey:

BTNMPGBKDVTSJY-UHFFFAOYSA-M

Synonyms

Databases

MetaCyc: PHENYL-PYRUVATE

RefMet: Phenylpyruvic acid

BiGG: phpyr

MetaboLights: MTBLC18005

HMDB: HMDB00205

ChemSpider: 3784710

PubChem (CID): 4592697 997

ChEBI: 18005 30851

KEGG: C00166

CAS: 156-06-9

PupChem (SID): 3466

CHEMBL: CHEMBL1162488

PDB-CCD: PPY

3DMET: B00048

NIKKAJI: J11.025F

Seed: cpd00143

MetaNetX: MNXM162242

KNApSAcK: C00000751