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CHEBI:28631 - 3-phenylpropionic acid

ChEBI IDCHEBI:28631
ChEBI Name3-phenylpropionic acid
Stars
DefinitionA monocarboxylic acid that is propionic acid substituted at position 3 by a phenyl group.
Secondary ChEBI IDsCHEBI:8103, CHEBI:26002, CHEBI:26005, CHEBI:43112
Last Modified28 November 2022
DownloadsMolfile

FormulaC9H10O2
Net Charge0
Average Mass150.177
Monoisotopic Mass150.06808
SMILESO=C(O)CCc1ccccc1
InChIInChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChIKeyXMIIGOLPHOKFCH-UHFFFAOYSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Roles Classification

ChEBI Ontology
IUPAC Name 
3-phenylpropanoic acid
Synonyms  Source
PhenylpropanoateKEGG COMPOUND
3-Phenyl-propionic acidKEGG COMPOUND
3-Phenylpropanoic acidKEGG COMPOUND
HYDROCINNAMIC ACIDPDBeChem
3-phenylpropionic acidChemIDplus
β-phenylpropionic acidNIST Chemistry WebBook
Manual XrefsDatabases
C05629KEGG COMPOUND
HCIPDBeChem
DB02024DrugBank
HMDB0000764HMDB
3-PHENYLPROPIONATEMetaCyc
Phenylpropanoic_acidWikipedia
ECMDB00764ECMDB
Registry NumbersSources
Gmelin:102198Gmelin
Reaxys:907515Reaxys
CAS:501-52-0KEGG COMPOUND
CAS:501-52-0ChemIDplus
CAS:501-52-0NIST Chemistry WebBook
Citations