3-(3,4-dihydroxyphenyl)propanoic acid (CHEBI:48400)

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ChEBI Name	3-(3,4-dihydroxyphenyl)propanoic acid

ChEBI ID	CHEBI:48400

Definition	A monocarboxylic acid that is 3-phenylpropionic acid substituted by hydroxy groups at positions 3 and 4. Also known as dihydrocaffeic acid, it is a metabolite of caffeic acid and exhibits antioxidant activity.

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

Secondary ChEBI IDs	CHEBI:4556

Supplier Information

Download	Molfile XML SDF

Formula

C9H10O4

Net Charge

Average Mass

182.17330

Monoisotopic Mass

182.05791

InChI

InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)

InChIKey

DZAUWHJDUNRCTF-UHFFFAOYSA-N

SMILES

OC(=O)CCc1ccc(O)c(O)c1

Roles Classification
Chemical Role(s):	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. 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.

ChEBI Ontology
Outgoing	3-(3,4-dihydroxyphenyl)propanoic acid (CHEBI:48400) has functional parent 3-phenylpropionic acid (CHEBI:28631) 3-(3,4-dihydroxyphenyl)propanoic acid (CHEBI:48400) has role antioxidant (CHEBI:22586) 3-(3,4-dihydroxyphenyl)propanoic acid (CHEBI:48400) has role human xenobiotic metabolite (CHEBI:76967) 3-(3,4-dihydroxyphenyl)propanoic acid (CHEBI:48400) is a (dihydroxyphenyl)propanoic acid (CHEBI:149591) 3-(3,4-dihydroxyphenyl)propanoic acid (CHEBI:48400) is conjugate acid of 3-(3,4-dihydroxyphenyl)propanoate (CHEBI:58744)

Incoming	N¹,N⁸-bis-(dihydrocaffeoyl)spermidine (CHEBI:142881) has functional parent 3-(3,4-dihydroxyphenyl)propanoic acid (CHEBI:48400) dihydrocaffeoyl-CoA (CHEBI:87451) has functional parent 3-(3,4-dihydroxyphenyl)propanoic acid (CHEBI:48400) 3-(3,4-dihydroxyphenyl)propanoate (CHEBI:58744) is conjugate base of 3-(3,4-dihydroxyphenyl)propanoic acid (CHEBI:48400)

IUPAC Name

3-(3,4-dihydroxyphenyl)propanoic acid

Synonyms	Sources
3,4-dihydroxy-β-phenylpropionic acid	HMDB
3,4-dihydroxybenzenepropanoic acid	ChemIDplus
3,4-dihydroxybenzenepropionic acid	HMDB
3,4-dihydroxydihydrocinnamic acid	HMDB
3,4-dihydroxyhydrocinnamic acid	ChemIDplus
3,4-dihydroxyphenylpropionic acid	ChemIDplus
3-(3,4-dihydroxyphenyl)propionic acid	ChemIDplus
dihydrocaffeic acid	ChemIDplus
hydrocaffeic acid	ChemIDplus

Last Modified

05 August 2020