5-[(2-aminobenzimidazol-6-yl)amino]-5-oxopentanoic acid zwitterion
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http://purl.obolibrary.org/obo/CHEBI_63537
A zwitterion obtained by transfer of a proton from the carboxy group to position 3 of the benzimidazole ring of 5-[(2-aminobenzimidazol-6-yl)amino]-5-oxopentanoic acid.
Term info
Label
5-[(2-aminobenzimidazol-6-yl)amino]-5-oxopentanoic acid zwitterion
Synonyms
- 5-[(2-amino-1H-3,1-benzimidazol-3-ium-6-yl)amino]-5-oxopentanoate
Subsets
3_STAR
charge
0
formula
C12H14N4O3
has obo namespace
chebi_ontology
has related synonym
2-amino-6-glutaramidobenzimidazole zwitterion, 5-[(2-amino-3H-benzimidazol-5-yl)amino]-5-oxopentanoic acid zwitterion
id
CHEBI:63537
inchi
InChI=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)
inchikey
KYOKAWLLGVBQKM-UHFFFAOYSA-N
mass
262.26460
monoisotopicmass
262.10659
smiles
Nc1[nH]c2cc(NC(=O)CCCC([O-])=O)ccc2[nH+]1