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

Go to external page http://purl.obolibrary.org/obo/CHEBI_133928

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.

Term info

Label

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

Synonyms
  • 2,5-diiminio-3,4-bis(1H-indol-3-yl)hexanedioate
database cross reference
Subsets

3_STAR

IUPAC NAME
2,5-diiminio-3,4-bis(1H-indol-3-yl)hexanedioate [ IUPAC ]

charge

0

formula

C22H18N4O4

has obo namespace

chebi_ontology

has related synonym

indole-3-pyruvate imine dimer, 2,5-diimino-3,4-bis(indol-3-yl)hexanedioic acid dizwitterion

id

CHEBI:133928

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

mass

402.404

monoisotopicmass

402.13281

smiles

C1=CC=CC2=C1C(=CN2)C(C(C3=CNC=4C3=CC=CC4)C(C(=O)[O-])=[NH2+])C(C(=O)[O-])=[NH2+]