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CHEBI:63536 - 5-[(2-aminobenzimidazol-6-yl)amino]-5-oxopentanoic acid

ChEBI IDCHEBI:63536
ChEBI Name5-[(2-aminobenzimidazol-6-yl)amino]-5-oxopentanoic acid
Stars
DefinitionA dicarboxylic acid monoamide obtained by formal condensation of the 6-amino group of 2,6-diaminobenzimidazole with one of the carboxy groups of glutaric acid.
Last Modified25 November 2019
SubmitterSteve
DownloadsMolfile
FormulaC12H14N4O3
Net Charge0
Average Mass262.269
Monoisotopic Mass262.10659
SMILESNc1nc2ccc(NC(=O)CCCC(=O)O)cc2n1
InChIInChI=1S/C12H14N4O3/c13-12-15-8-5-4-7(6-9(8)16-12)14-10(17)2-1-3-11(18)19/h4-6H,1-3H2,(H,14,17)(H,18,19)(H3,13,15,16)
InChIKeyKYOKAWLLGVBQKM-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
5-[(2-aminobenzimidazol-6-yl)amino]-5-oxopentanoic acid (CHEBI:63536) has role hapten (CHEBI:59174)
5-[(2-aminobenzimidazol-6-yl)amino]-5-oxopentanoic acid (CHEBI:63536) is a benzimidazoles (CHEBI:22715)
5-[(2-aminobenzimidazol-6-yl)amino]-5-oxopentanoic acid (CHEBI:63536) is a dicarboxylic acid monoamide (CHEBI:35735)
5-[(2-aminobenzimidazol-6-yl)amino]-5-oxopentanoic acid (CHEBI:63536) is a monocarboxylic acid (CHEBI:25384)
5-[(2-aminobenzimidazol-6-yl)amino]-5-oxopentanoic acid (CHEBI:63536) is tautomer of 5-[(2-aminobenzimidazol-6-yl)amino]-5-oxopentanoic acid zwitterion (CHEBI:63537)
Incoming Relation(s)
5-[(2-aminobenzimidazol-6-yl)amino]-5-oxopentanoic acid zwitterion (CHEBI:63537) is tautomer of 5-[(2-aminobenzimidazol-6-yl)amino]-5-oxopentanoic acid (CHEBI:63536)
IUPAC Name 
5-[(2-amino-1H-benzimidazol-6-yl)amino]-5-oxopentanoic acid
Synonyms  Source
2-amino-6-glutaramidobenzimidazoleChEBI
5-[(2-amino-3H-benzimidazol-5-yl)amino]-5-oxopentanoic acidChEBI
Manual XrefsDatabases
BZHPDBeChem
Registry NumbersSources
Reaxys:10458230Reaxys
Citations