3-phenylpropionate (CHEBI:51057)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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

Download	Molfile XML SDF

Formula

C9H9O2

Net Charge

-1

Average Mass

149.16656

Monoisotopic Mass

149.06080

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.

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	(2R,3S)-piscidate (CHEBI:192789) has functional parent 3-phenylpropionate (CHEBI:51057) 3-phenylpropionic acid (CHEBI:28631) is conjugate acid of 3-phenylpropionate (CHEBI:51057)

IUPAC Name

3-phenylpropanoate

Last Modified

09 September 2014