CHEBI:63537 - 5-[(2-aminobenzimidazol-6-yl)amino]-5-oxopentanoic acid zwitterion

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-[(2-aminobenzimidazol-6-yl)amino]-5-oxopentanoic acid zwitterion
ChEBI ID CHEBI:63537
Definition 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C12H14N4O3
Net Charge 0
Average Mass 262.26460
Monoisotopic Mass 262.10659
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
SMILES Nc1[nH]c2cc(NC(=O)CCCC([O-])=O)ccc2[nH+]1
ChEBI Ontology
Outgoing 5-[(2-aminobenzimidazol-6-yl)amino]-5-oxopentanoic acid zwitterion (CHEBI:63537) is a dicarboxylic acid monoamide (CHEBI:35735)
5-[(2-aminobenzimidazol-6-yl)amino]-5-oxopentanoic acid zwitterion (CHEBI:63537) is a zwitterion (CHEBI:27369)
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)
Incoming 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)
IUPAC Name
5-[(2-amino-1H-3,1-benzimidazol-3-ium-6-yl)amino]-5-oxopentanoate
Synonyms Sources
2-amino-6-glutaramidobenzimidazole zwitterion ChEBI
5-[(2-amino-3H-benzimidazol-5-yl)amino]-5-oxopentanoic acid zwitterion ChEBI
Last Modified
09 January 2012