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

ChEBI IDCHEBI:40940
ChEBI Name3-{[(9-cyano-10-methyl-9,10-dihydroacridin-9-yl)carbonyl]amino}propanoic acid
Stars
DefinitionAn N-methylated dihydro acridine carrying carbonitrile and N-carboxyethylcarbamoyl substituents at C-9.
Last Modified14 October 2014
DownloadsMolfile
FormulaC19H17N3O3
Net Charge0
Average Mass335.363
Monoisotopic Mass335.12699
SMILESCN1c2ccccc2C(C#N)(C(=O)NCCC(=O)O)c2ccccc21
InChIInChI=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)
InChIKeyFRBAOMHMZCGBOJ-UHFFFAOYSA-N
Roles Classification
Biological Role:
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 Relation(s)
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 ACIDPDBeChem
Manual XrefsDatabases
BC1PDBeChem
1LO0PDB
Citations