CHEBI:133928 - 2,5-diiminio-3,4-bis(indol-3-yl)hexanedioate

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ChEBI Name 2,5-diiminio-3,4-bis(indol-3-yl)hexanedioate
ChEBI ID CHEBI:133928
Definition A zwitterion that is derived from 2,5-diimino-3,4-bis(indol-3-yl)hexanedioic acid by deprotonation of both carboxylic acid groups and protonation of both amino groups; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C22H18N4O4
Net Charge 0
Average Mass 402.404
Monoisotopic Mass 402.13281
InChI InChI=1S/C22H18N4O4/c23-19(21(27)28)17(13-9-25-15-7-3-1-5-11(13)15)18(20(24)22(29)30)14-10-26-16-8-4-2-6-12(14)16/h1-10,17-18,23-26H,(H,27,28)(H,29,30)
InChIKey CKBGWXPNAUCVQQ-UHFFFAOYSA-N
SMILES C1=CC=CC2=C1C(=CN2)C(C(C3=CNC=4C3=CC=CC4)C(C(=O)[O-])=[NH2+])C(C(=O)[O-])=[NH2+]
Metabolite of Species Details
Chromobacterium violaceum (NCBI:txid536) See: PubMed
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2,5-diiminio-3,4-bis(indol-3-yl)hexanedioate (CHEBI:133928) has role bacterial metabolite (CHEBI:76969)
2,5-diiminio-3,4-bis(indol-3-yl)hexanedioate (CHEBI:133928) is a zwitterion (CHEBI:27369)
2,5-diiminio-3,4-bis(indol-3-yl)hexanedioate (CHEBI:133928) is tautomer of 2,5-diimino-3,4-bis(indol-3-yl)hexanedioic acid (CHEBI:136433)
Incoming 2,5-diimino-3,4-bis(indol-3-yl)hexanedioic acid (CHEBI:136433) is tautomer of 2,5-diiminio-3,4-bis(indol-3-yl)hexanedioate (CHEBI:133928)
IUPAC Name
2,5-diiminio-3,4-bis(1H-indol-3-yl)hexanedioate
Synonyms Sources
2,5-diimino-3,4-bis(indol-3-yl)hexanedioic acid dizwitterion ChEBI
indole-3-pyruvate imine dimer UniProt
Citations Waiting for Citations Types Sources
17176066 PubMed citation SUBMITTER
18171677 PubMed citation SUBMITTER
Last Modified
07 March 2017