3-{[(9-cyano-10-methyl-9,10-dihydroacridin-9-yl)carbonyl]amino}propanoic acid (CHEBI:40940)

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ChEBI Name	3-{[(9-cyano-10-methyl-9,10-dihydroacridin-9-yl)carbonyl]amino}propanoic acid

ChEBI ID	CHEBI:40940

Definition	An N-methylated dihydro acridine carrying carbonitrile and N-carboxyethylcarbamoyl substituents at C-9.

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

Supplier Information

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Formula

C19H17N3O3

Net Charge

Average Mass

335.35660

Monoisotopic Mass

335.12699

InChI

InChI=1S/C19H17N3O3/c1-22-15-8-4-2-6-13(15)19(12-20,14-7-3-5-9-16(14)22)18(25)21-11-10-17(23)24/h2-9H,10-11H2,1H3,(H,21,25)(H,23,24)

InChIKey

FRBAOMHMZCGBOJ-UHFFFAOYSA-N

SMILES

CN1c2ccccc2C(C#N)(C(=O)NCCC(O)=O)c2ccccc12

Roles Classification
Biological Role(s):	hapten Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.

ChEBI Ontology
Outgoing	3-{[(9-cyano-10-methyl-9,10-dihydroacridin-9-yl)carbonyl]amino}propanoic acid (CHEBI:40940) has role hapten (CHEBI:59174) 3-{[(9-cyano-10-methyl-9,10-dihydroacridin-9-yl)carbonyl]amino}propanoic acid (CHEBI:40940) is a nitrile (CHEBI:18379)

IUPAC Name

3-{[(9-cyano-10-methyl-9,10-dihydroacridin-9-yl)carbonyl]amino}propanoic acid

Synonym	Source
3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-9-YL)CARBONYL]AMINO}PROPANOIC ACID	PDBeChem

Citation	Type	Source
12093912	PubMed citation	Europe PMC

Last Modified

14 October 2014