CHEBI:2003 - 5,6-dihydroxyindole-2-carboxylic acid

ChEBI IDCHEBI:2003
ChEBI Name5,6-dihydroxyindole-2-carboxylic acid
Stars
DefinitionA dihydroxyindole that is indole-2-carboxylic acid substituted by hydroxy groups at positions 5 and 6.
Last Modified19 August 2021
DownloadsMolfile
FormulaC9H7NO4
Net Charge0
Average Mass193.158
Monoisotopic Mass193.03751
SMILESO=C(O)c1cc2cc(O)c(O)cc2n1
InChIInChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h1-3,10-12H,(H,13,14)
InChIKeyYFTGOBNOJKXZJC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
5,6-dihydroxyindole-2-carboxylic acid (CHEBI:2003) has role mouse metabolite (CHEBI:75771)
5,6-dihydroxyindole-2-carboxylic acid (CHEBI:2003) is a dihydroxyindole (CHEBI:23781)
5,6-dihydroxyindole-2-carboxylic acid (CHEBI:2003) is conjugate acid of 5,6-dihydroxyindole-2-carboxylate (CHEBI:16875)
5,6-dihydroxyindole-2-carboxylic acid (CHEBI:2003) is tautomer of dopachrome (CHEBI:49108)
Incoming Relation(s)
indole-5,6-quinone-2-carboxylic acid (CHEBI:81394) has functional parent 5,6-dihydroxyindole-2-carboxylic acid (CHEBI:2003)
5,6-dihydroxyindole-2-carboxylate (CHEBI:16875) is conjugate base of 5,6-dihydroxyindole-2-carboxylic acid (CHEBI:2003)
dopachrome (CHEBI:49108) is tautomer of 5,6-dihydroxyindole-2-carboxylic acid (CHEBI:2003)
IUPAC Name 
5,6-dihydroxy-1H-indole-2-carboxylic acid
Synonyms  Source
5,6-Dihydroxyindole-2-carboxylateKEGG COMPOUND
DHICAKEGG COMPOUND
5,6-dihydroxy-2-indolylcarboxylic acidChemIDplus
5,6-dihydroxy-2-indolecarboxylic acidChemIDplus
DHI2CChemIDplus
5,6-DHICAChemIDplus
Manual XrefsDatabases
C04185KEGG COMPOUND
Registry NumbersSources
Reaxys:168167Reaxys
CAS:4790-08-3ChemIDplus
Citations