homogentisate (CHEBI:16169)

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ChEBI Name	homogentisate

ChEBI ID	CHEBI:16169

Definition	A dihydroxy monocarboxylic acid anion that is the conjugate base of (2,6-dihydroxyphenyl)acetic (homogentisic) acid, arising from deprotonation of the carboxy group.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:11452, CHEBI:14410, CHEBI:24615

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

Formula

C8H7O4

Net Charge

-1

Average Mass

167.13878

Monoisotopic Mass

167.03498

InChI

InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)/p-1

InChIKey

IGMNYECMUMZDDF-UHFFFAOYSA-M

SMILES

Oc1ccc(O)c(CC([O-])=O)c1

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	See: DOI

Roles Classification
Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	homogentisate (CHEBI:16169) has functional parent acetate (CHEBI:30089) homogentisate (CHEBI:16169) has role human metabolite (CHEBI:77746) homogentisate (CHEBI:16169) has role plant metabolite (CHEBI:76924) homogentisate (CHEBI:16169) is a hydroxy monocarboxylic acid anion (CHEBI:36059) homogentisate (CHEBI:16169) is conjugate base of homogentisic acid (CHEBI:44747)

Incoming	homogentisic acid (CHEBI:44747) is conjugate acid of homogentisate (CHEBI:16169)

IUPAC Name

(2,5-dihydroxyphenyl)acetate

Synonym	Source
homogentisate	UniProt

Registry Number	Type	Source
3668593	Reaxys Registry Number	Reaxys

Last Modified

14 April 2015