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CHEBI:177869 - indole-5,6-quinone-2-carboxylate

Default Structure
ChEBI IDCHEBI:177869
ChEBI Nameindole-5,6-quinone-2-carboxylate
Stars
DefinitionAn indolecarboxylate that is the conjugate base of indole-5,6-quinone-2-carboxylic acid resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3.
Last Modified19 August 2021
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC9H4NO4
Net Charge-1
Average Mass190.134
Monoisotopic Mass190.01458
SMILESO=C1C=c2cc(C(=O)[O-])nc2=CC1=O
InChIInChI=1S/C9H5NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h1-3,10H,(H,13,14)/p-1
InChIKeyFXURFKFOPCZEKG-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
indole-5,6-quinone-2-carboxylate (CHEBI:177869) has functional parent 5,6-dihydroxyindole-2-carboxylate (CHEBI:16875)
indole-5,6-quinone-2-carboxylate (CHEBI:177869) is a indolecarboxylate (CHEBI:38609)
indole-5,6-quinone-2-carboxylate (CHEBI:177869) is conjugate base of indole-5,6-quinone-2-carboxylic acid (CHEBI:81394)
Incoming Relation(s)
indole-5,6-quinone-2-carboxylic acid (CHEBI:81394) is conjugate acid of indole-5,6-quinone-2-carboxylate (CHEBI:177869)
IUPAC Name 
5,6-dioxo-5,6-dihydro-1H-indole-2-carboxylate
Synonyms  Source
5,6-bis(oxidanylidene)-1H-indole-2-carboxylateChEBI
5,6-diketo-1H-indole-2-carboxylateChEBI
5,6-dioxo-1H-indole-2-carboxylateChEBI
5,6-indolequinone-2-carboxylateChEBI
UniProt Name  Source
indole-5,6-quinone-2-carboxylateUniProt
Manual XrefsDatabases
CPD-12374MetaCyc
Citations