3-coumaric acid (CHEBI:47925)

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ChEBI Name	3-coumaric acid

ChEBI ID	CHEBI:47925

Definition	A monohydroxycinnamic acid in which the hydroxy substituent is located at C-3 of the phenyl ring.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

Formula

C9H8O3

Net Charge

Average Mass

164.15802

Monoisotopic Mass

164.04734

InChI

InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)

InChIKey

KKSDGJDHHZEWEP-UHFFFAOYSA-N

SMILES

[H]C(=Cc1cccc(O)c1)C(O)=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. 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-coumaric acid (CHEBI:47925) has role human xenobiotic metabolite (CHEBI:76967) 3-coumaric acid (CHEBI:47925) has role plant metabolite (CHEBI:76924) 3-coumaric acid (CHEBI:47925) is a coumaric acid (CHEBI:23401) 3-coumaric acid (CHEBI:47925) is conjugate acid of 3-coumarate (CHEBI:47927)

Incoming	cis-3-coumaric acid (CHEBI:47926) is a 3-coumaric acid (CHEBI:47925) trans-3-coumaric acid (CHEBI:32357) is a 3-coumaric acid (CHEBI:47925) 3-coumarate (CHEBI:47927) is conjugate base of 3-coumaric acid (CHEBI:47925)

IUPAC Name

3-(3-hydroxyphenyl)prop-2-enoic acid

Synonyms	Sources
3-(3-hydroxyphenyl)-2-propenoic acid	NIST Chemistry WebBook
3-(3-hydroxyphenyl)acrylic acid	NIST Chemistry WebBook
3-coumaric acid	ChemIDplus
3-hydroxycinnamic acid	ChemIDplus
m-coumaric acid	NIST Chemistry WebBook
m-hydroxycinnamic acid	NIST Chemistry WebBook

Last Modified

25 June 2014