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

ChEBI IDCHEBI:63537
ChEBI Name5-[(2-aminobenzimidazol-6-yl)amino]-5-oxopentanoic acid zwitterion
Stars
DefinitionA 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.
Last Modified9 January 2012
SubmitterSteve
DownloadsMolfile
FormulaC12H14N4O3
Net Charge0
Average Mass262.269
Monoisotopic Mass262.10659
SMILESNc1nc2cc(NC(=O)CCCC(=O)[O-])ccc2[nH+]1
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
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
2-amino-6-glutaramidobenzimidazole zwitterionChEBI
5-[(2-amino-3H-benzimidazol-5-yl)amino]-5-oxopentanoic acid zwitterionChEBI