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CHEBI:43007 - 5-(2-amino-5,6-dimethyl-1H-benzimidazol-1-yl)pentanoic acid

Default Structure
ChEBI IDCHEBI:43007
ChEBI Name5-(2-amino-5,6-dimethyl-1H-benzimidazol-1-yl)pentanoic acid
Stars
ASCII Name5-(2-amino-5,6-dimethyl-1H-benzimidazol-1-yl)pentanoic acid
DefinitionA 2-aminobenzimidazole having methyl substituents at the 5- and 6-positions and a 5-carboxypentyl group at the 1-position.
Last Modified28 December 2016
DownloadsMolfile
FormulaC14H19N3O2
Net Charge0
Average Mass261.325
Monoisotopic Mass261.14773
SMILESCc1cc2nc(N)n(CCCCC(=O)O)c2cc1C
InChIInChI=1S/C14H19N3O2/c1-9-7-11-12(8-10(9)2)17(14(15)16-11)6-4-3-5-13(18)19/h7-8H,3-6H2,1-2H3,(H2,15,16)(H,18,19)
InChIKeyONFQTORHROMJSV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
5-(2-amino-5,6-dimethyl-1H-benzimidazol-1-yl)pentanoic acid (CHEBI:43007) has role epitope (CHEBI:53000)
5-(2-amino-5,6-dimethyl-1H-benzimidazol-1-yl)pentanoic acid (CHEBI:43007) is a dimethylbenzimidazole (CHEBI:23809)
5-(2-amino-5,6-dimethyl-1H-benzimidazol-1-yl)pentanoic acid (CHEBI:43007) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
5-(2-amino-5,6-dimethyl-1H-benzimidazol-1-yl)pentanoic acid
Synonyms  Source
2-amino-5,6-dimethylbenzimidazole-1-pentanoic acidChEBI
2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-1-PENTANOIC ACIDPDBeChem
Manual XrefsDatabases
1Y0LPDB
HANPDBeChem
Registry NumbersSources
Reaxys:30206144Reaxys
Citations