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CHEBI:16875 - 5,6-dihydroxyindole-2-carboxylate

Default Structure
ChEBI IDCHEBI:16875
ChEBI Name5,6-dihydroxyindole-2-carboxylate
Stars
Secondary ChEBI IDCHEBI:12081
Last Modified19 August 2021
DownloadsMolfile
FormulaC9H6NO4
Net Charge-1
Average Mass192.150
Monoisotopic Mass192.03023
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)/p-1
InChIKeyYFTGOBNOJKXZJC-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
5,6-dihydroxyindole-2-carboxylate (CHEBI:16875) has role human metabolite (CHEBI:77746)
5,6-dihydroxyindole-2-carboxylate (CHEBI:16875) is a dihydroxyindole (CHEBI:23781)
5,6-dihydroxyindole-2-carboxylate (CHEBI:16875) is a indolecarboxylate (CHEBI:38609)
5,6-dihydroxyindole-2-carboxylate (CHEBI:16875) is conjugate acid of 5,6-dioxidoindole-2-carboxylate (CHEBI:20515)
5,6-dihydroxyindole-2-carboxylate (CHEBI:16875) is conjugate base of 5,6-dihydroxyindole-2-carboxylic acid (CHEBI:2003)
Incoming Relation(s)
indole-5,6-quinone-2-carboxylate (CHEBI:177869) has functional parent 5,6-dihydroxyindole-2-carboxylate (CHEBI:16875)
5,6-dihydroxyindole-2-carboxylic acid (CHEBI:2003) is conjugate acid of 5,6-dihydroxyindole-2-carboxylate (CHEBI:16875)
5,6-dioxidoindole-2-carboxylate (CHEBI:20515) is conjugate base of 5,6-dihydroxyindole-2-carboxylate (CHEBI:16875)
IUPAC Name 
5,6-dihydroxy-1H-indole-2-carboxylate
UniProt Name  Source
5,6-dihydroxyindole-2-carboxylateUniProt