Phenylpyruvic acid

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Systematic / IUPAC Name: 2-Oxo-3-phenylpropanoic acid

ID: Reference1389

Other Names: Phenylpyruvate;
3-Phenylpyruvic acid;
β-Phenylpyruvic acid;
Pyruvic acid, phenyl-;
3-Phenyl-2-oxopropanoate ; more

Formula: C9H8O3

Class: Endogenous Metabolites

Spectral Data

Phenylpyruvic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 69
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/4/2014 7:30:55 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
InChI Key BTNMPGBKDVTSJY-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)CC(=O)C(=O)O
CAS 156069
Splash
Other Names Phenylpyruvate;
3-Phenylpyruvic acid;
β-Phenylpyruvic acid;
Pyruvic acid, phenyl-;
3-Phenyl-2-oxopropanoate;
Benzenepropanoic acid, α-oxo-;
3-Phenyl-2-oxopropanoic acid;
Phenylpyroracemic acid;
α-Ketohydrocinnamic acid;
α-Ketohydrocinnamate

In Other Databases

Wikipedia Phenylpyruvic acid
HMDb HMDB00205; HMDB31629
PubChem 997
ChEBI CHEBI:30851
ChEMBL CHEMBL1162488
KEGG C00166
ChemIDPlus 000156069; 000114761; 017647937; 051828934
ChemSpider 972