CHEBI:51057 - 3-phenylpropionate

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ChEBI Name 3-phenylpropionate
ChEBI ID CHEBI:51057
Definition A monocarboxylic acid anion that is the conjugate base of 3-phenylpropionic acid, obtained by deprotonation of the carboxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20187, CHEBI:20186
Supplier Information
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Formula C9H9O2
Net Charge -1
Average Mass 149.16656
Monoisotopic Mass 149.060
InChI InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)/p-1
InChIKey XMIIGOLPHOKFCH-UHFFFAOYSA-M
SMILES [O-]C(=O)CCc1ccccc1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-phenylpropionate (CHEBI:51057) has role human metabolite (CHEBI:77746)
3-phenylpropionate (CHEBI:51057) has role plant metabolite (CHEBI:76924)
3-phenylpropionate (CHEBI:51057) is a monocarboxylic acid anion (CHEBI:35757)
3-phenylpropionate (CHEBI:51057) is conjugate base of 3-phenylpropionic acid (CHEBI:28631)
Incoming 3-phenylpropionic acid (CHEBI:28631) is conjugate acid of 3-phenylpropionate (CHEBI:51057)
IUPAC Name
3-phenylpropanoate
Synonyms Sources
3-phenyl propionate UM-BBD
3-phenylpropanoate UniProt
Manual Xrefs Databases
3-PHENYLPROPIONATE MetaCyc
c0422 UM-BBD
HMDB0000764 HMDB
View more database links
Registry Numbers Types Sources
328656 Gmelin Registry Number Gmelin
4670367 Beilstein Registry Number Beilstein
4670367 Reaxys Registry Number Reaxys
Last Modified
09 September 2014