2-(acetylamino)-3-[4-(acetylamino)phenyl]acrylic acid (CHEBI:190539)

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CHEBI:190539 - 2-(acetylamino)-3-[4-(acetylamino)phenyl]acrylic acid

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ChEBI ID	CHEBI:190539
ChEBI Name	2-(acetylamino)-3-[4-(acetylamino)phenyl]acrylic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H14N2O4
Net Charge	0
Average Mass	262.265
Monoisotopic Mass	262.09536
SMILES	CC(=O)NC(=Cc1ccc(NC(C)=O)cc1)C(=O)O
InChI	InChI=1S/C13H14N2O4/c1-8(16)14-11-5-3-10(4-6-11)7-12(13(18)19)15-9(2)17/h3-7H,1-2H3,(H,14,16)(H,15,17)(H,18,19)
InChIKey	BQKAQRBTGRQBQA-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Rattus norvegicus (ncbitaxon:10116)	liver (BTO:0000759)	MetaboLights (MTBLS4163)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	2-(acetylamino)-3-[4-(acetylamino)phenyl]acrylic acid (CHEBI:190539) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
2-acetamido-3-(4-acetamidophenyl)prop-2-enoic acid

Manual Xrefs	Databases
2028637	ChemSpider