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CHEBI:30745 - phenylacetic acid

ChEBI IDCHEBI:30745
ChEBI Namephenylacetic acid
Stars
DefinitionA monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group.
Secondary ChEBI IDsCHEBI:8085, CHEBI:25977, CHEBI:44686
Last Modified28 April 2022
SubmitterKirill Degtyarenko
DownloadsMolfile

FormulaC8H8O2
Net Charge0
Average Mass136.150
Monoisotopic Mass136.05243
SMILESO=C(O)Cc1ccccc1
InChIInChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
InChIKeyWLJVXDMOQOGPHL-UHFFFAOYSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Stachylidium (ncbitaxon:796327) - PubMed (21162532) Marine derived fungus isolated from sponge Callyspongia sp. cf. C. flammea Strain: 220
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Aspergillus niger (ncbitaxon:5061) - Article (Phytochemistry, 1988, 27(10), 3169-3173) Strain: var. Tieghem.
Roles Classification

ChEBI Ontology
IUPAC Name 
phenylacetic acid
Synonyms  Source
Phenylacetic acidKEGG COMPOUND
Benzylformic acidKEGG COMPOUND
benzeneacetic acidNIST Chemistry WebBook
α-toluic acidNIST Chemistry WebBook
2-PHENYLACETIC ACIDPDBeChem
2-Phenylethanoic acidHMDB
Manual XrefsDatabases
C07086KEGG COMPOUND
C07086KEGG COMPOUND
PACPDBeChem
Phenylacetic_acidWikipedia
HMDB0000209HMDB
C00000750KNApSAcK
YMDB00891YMDB
ECMDB04128ECMDB
PHENYLACETATEMetaCyc
4624DrugCentral
Registry NumbersSources
Gmelin:68976Gmelin
Reaxys:1099647Reaxys
CAS:103-82-2KEGG COMPOUND
CAS:103-82-2ChemIDplus
CAS:103-82-2NIST Chemistry WebBook
Citations