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CHEBI:136433 - 2,5-diimino-3,4-bis(indol-3-yl)hexanedioic acid

ChEBI IDCHEBI:136433
ChEBI Name2,5-diimino-3,4-bis(indol-3-yl)hexanedioic acid
Stars
DefinitionA member of the class of indoles obtained by dimerisation of 2-imino-3-(indol-3-yl)propanoic acid. An intermediate in the biosynthesis of violacein.
Last Modified7 March 2017
SubmitterSteve
DownloadsMolfile
FormulaC22H18N4O4
Net Charge0
Average Mass402.410
Monoisotopic Mass402.13281
SMILESN=C(C(=O)O)C(c1cnc2ccccc12)C(C(=N)C(=O)O)c1cnc2ccccc12
InChIInChI=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)
InChIKeyCKBGWXPNAUCVQQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Chromobacterium violaceum (ncbitaxon:536) - PubMed (17176066)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
2,5-diimino-3,4-bis(indol-3-yl)hexanedioic acid (CHEBI:136433) has functional parent 2-imino-3-(indol-3-yl)propanoic acid (CHEBI:90891)
2,5-diimino-3,4-bis(indol-3-yl)hexanedioic acid (CHEBI:136433) has role bacterial metabolite (CHEBI:76969)
2,5-diimino-3,4-bis(indol-3-yl)hexanedioic acid (CHEBI:136433) is a dicarboxylic acid (CHEBI:35692)
2,5-diimino-3,4-bis(indol-3-yl)hexanedioic acid (CHEBI:136433) is a indoles (CHEBI:24828)
2,5-diimino-3,4-bis(indol-3-yl)hexanedioic acid (CHEBI:136433) is a ketimine (CHEBI:33272)
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)
Incoming Relation(s)
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)
IUPAC Name 
2,5-diimino-3,4-di(1H-indol-3-yl)hexanedioic acid
Synonym  Source
indole-3-pyruvic acid imine dimerChEBI
Citations