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

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ChEBI Name	5-(2-amino-5,6-dimethyl-1H-benzimidazol-1-yl)pentanoic acid

ChEBI ID	CHEBI:43007

ChEBI ASCII Name	5-(2-amino-5,6-dimethyl-1H-benzimidazol-1-yl)pentanoic acid

Definition	A 2-aminobenzimidazole having methyl substituents at the 5- and 6-positions and a 5-carboxypentyl group at the 1-position.

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

Supplier Information

Download	Molfile XML SDF

Formula

C14H19N3O2

Net Charge

Average Mass

261.31960

Monoisotopic Mass

261.14773

InChI

InChI=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)

InChIKey

ONFQTORHROMJSV-UHFFFAOYSA-N

SMILES

Cc1cc2nc(N)n(CCCCC(O)=O)c2cc1C

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	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	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	Sources
2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-1-PENTANOIC ACID	PDBeChem
2-amino-5,6-dimethylbenzimidazole-1-pentanoic acid	ChEBI

Registry Number	Type	Source
30206144	Reaxys Registry Number	Reaxys

Last Modified

28 December 2016