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CHEBI:133929 - 3,4-bis(7-chloroindol-3-yl)-2,5-diiminiohexanedioate

ChEBI IDCHEBI:133929
ChEBI Name3,4-bis(7-chloroindol-3-yl)-2,5-diiminiohexanedioate
Stars
DefinitionA zwitterion that is derived from 3,4-bis(7-chloroindol-3-yl)-2,5-diiminohexanedioic acid by deprotonation of both carboxylic acid groups and protonation of both amino groups; major species at pH 7.3.
Last Modified7 March 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC22H16Cl2N4O4
Net Charge0
Average Mass471.300
Monoisotopic Mass470.05486
SMILES[NH2+]=C(C(=O)[O-])C(c1cnc2c(Cl)cccc12)C(C(=[NH2+])C(=O)[O-])c1cnc2c(Cl)cccc12
InChIInChI=1S/C22H16Cl2N4O4/c23-13-5-1-3-9-11(7-27-19(9)13)15(17(25)21(29)30)16(18(26)22(31)32)12-8-28-20-10(12)4-2-6-14(20)24/h1-8,15-16,25-28H,(H,29,30)(H,31,32)
InChIKeyOKDJEEBLFWDDQL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,4-bis(7-chloroindol-3-yl)-2,5-diiminiohexanedioate (CHEBI:133929) is a zwitterion (CHEBI:27369)
3,4-bis(7-chloroindol-3-yl)-2,5-diiminiohexanedioate (CHEBI:133929) is tautomer of 3,4-bis(7-chloroindol-3-yl)-2,5-diiminohexanedioic acid (CHEBI:136437)
Incoming Relation(s)
3,4-bis(7-chloroindol-3-yl)-2,5-diiminohexanedioic acid (CHEBI:136437) is tautomer of 3,4-bis(7-chloroindol-3-yl)-2,5-diiminiohexanedioate (CHEBI:133929)
IUPAC Name 
3,4-bis(7-chloro-1H-indol-3-yl)-2,5-diiminiohexanedioate
Synonym  Source
3,4-bis(7-chloroindol-3-yl)-2,5-diiminohexanedioic acid dizwitterionChEBI
UniProt Name  Source
7-chloroindole-3-pyruvate imine dimerUniProt
Citations