2-(p-coumaroyl)malic acid (CHEBI:134253)

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ChEBI Name	2-(p-coumaroyl)malic acid

ChEBI ID	CHEBI:134253

ChEBI ASCII Name	2-(p-coumaroyl)malic acid

Definition	A carboxylic ester obtained by formal condensation of the carboxy group of 4-coumaric acid with the hydroxy group of malic acid.

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

Supplier Information

Download	Molfile XML SDF

Formula

C13H12O7

Net Charge

Average Mass

280.231

Monoisotopic Mass

280.05830

InChI

InChI=1S/C13H12O7/c14-9-4-1-8(2-5-9)3-6-12(17)20-10(13(18)19)7-11(15)16/h1-6,10,14H,7H2,(H,15,16)(H,18,19)

InChIKey

QVPHNABUSKBIMG-UHFFFAOYSA-N

SMILES

O=C(O)C(CC(=O)O)OC(=O)C=CC1=CC=C(C=C1)O

Metabolite of Species	Details
Homo Sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: DOI
Homo Sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: MetaboLights Study

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 urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples.

ChEBI Ontology
Outgoing	2-(p-coumaroyl)malic acid (CHEBI:134253) has functional parent 4-coumaric acid (CHEBI:36090) 2-(p-coumaroyl)malic acid (CHEBI:134253) has functional parent malic acid (CHEBI:6650) 2-(p-coumaroyl)malic acid (CHEBI:134253) has role human urinary metabolite (CHEBI:84087) 2-(p-coumaroyl)malic acid (CHEBI:134253) is a carboxylic ester (CHEBI:33308) 2-(p-coumaroyl)malic acid (CHEBI:134253) is a dicarboxylic acid (CHEBI:35692) 2-(p-coumaroyl)malic acid (CHEBI:134253) is a phenols (CHEBI:33853)

IUPAC Name

2-{[3-(4-hydroxyphenyl)acryloyl]oxy}butanedioic acid

Registry Number	Type	Source
27425998	Reaxys Registry Number	Reaxys

Last Modified

23 June 2017