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

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ChEBI Name 3,4-bis(7-chloroindol-3-yl)-2,5-diiminiohexanedioate
ChEBI ID CHEBI:133929
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C22H16Cl2N4O4
Net Charge 0
Average Mass 471.294
Monoisotopic Mass 470.05486
InChI InChI=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)
InChIKey OKDJEEBLFWDDQL-UHFFFAOYSA-N
SMILES C1=CC=C(C2=C1C(=CN2)C(C(C3=CNC=4C3=CC=CC4Cl)C(C(=O)[O-])=[NH2+])C(C(=O)[O-])=[NH2+])Cl
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
3,4-bis(7-chloroindol-3-yl)-2,5-diiminohexanedioic acid dizwitterion ChEBI
7-chloroindole-3-pyruvate imine dimer UniProt
Citations Waiting for Citations Types Sources
17176066 PubMed citation SUBMITTER
18171677 PubMed citation SUBMITTER
Last Modified
07 March 2017