CHEBI:177275 - 2-Phenylpropionate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2-Phenylpropionate
ChEBI ID CHEBI:177275
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H9O2
Net Charge -1
Average Mass 149.170
Monoisotopic Mass 149.06080
InChI InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/p-1
InChIKey YPGCWEMNNLXISK-UHFFFAOYSA-M
SMILES [O-]C(=O)C(C1=CC=CC=C1)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in liver (BTO:0000759). of strain C57BL/6J [EFO:0000606]
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-Phenylpropionate (CHEBI:177275) is a benzenes (CHEBI:22712)
2-Phenylpropionate (CHEBI:177275) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name
2-phenylpropanoate
Manual Xref Database
4417045 ChemSpider
View more database links