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CHEBI:136437 - 3,4-bis(7-chloroindol-3-yl)-2,5-diiminohexanedioic acid

ChEBI IDCHEBI:136437
ChEBI Name3,4-bis(7-chloroindol-3-yl)-2,5-diiminohexanedioic acid
Stars
DefinitionA member of the class of indoles obtained by dimerisation of 2-imino-3-(7-chloroindol-3-yl)propanoic acid.
Last Modified7 March 2017
SubmitterSteve
DownloadsMolfile
FormulaC22H16Cl2N4O4
Net Charge0
Average Mass471.300
Monoisotopic Mass470.05486
SMILESN=C(C(=O)O)C(c1cnc2c(Cl)cccc12)C(C(=N)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
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3,4-bis(7-chloroindol-3-yl)-2,5-diiminohexanedioic acid (CHEBI:136437) has functional parent 2-imino-3-(indol-3-yl)propanoic acid (CHEBI:90891)
3,4-bis(7-chloroindol-3-yl)-2,5-diiminohexanedioic acid (CHEBI:136437) is a chloroindole (CHEBI:52508)
3,4-bis(7-chloroindol-3-yl)-2,5-diiminohexanedioic acid (CHEBI:136437) is a dicarboxylic acid (CHEBI:35692)
3,4-bis(7-chloroindol-3-yl)-2,5-diiminohexanedioic acid (CHEBI:136437) is a ketimine (CHEBI:33272)
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)
Incoming Relation(s)
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)
IUPAC Name 
3,4-bis(7-chloro-1H-indol-3-yl)-2,5-diiminohexanedioic acid
Synonym  Source
7-chloroindole-3-pyruvate imine dimerChEBI
Citations