homogentisic acid (CHEBI:44747)

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ChEBI Name	homogentisic acid

ChEBI ID	CHEBI:44747

Definition	A dihydroxyphenylacetic acid having the two hydroxy substituents at the 2- and 5-positions.

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

Secondary ChEBI IDs	CHEBI:44744, CHEBI:5755

Supplier Information	ZINC000096077697

Download	Molfile XML SDF

Wikipedia	License
Gentisic acid is a dihydroxybenzoic acid. It is a derivative of benzoic acid and a minor (1%) product of the metabolic break down of aspirin, excreted by the kidneys. It is also found in the African tree Alchornea cordifolia and in wine.
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Formula

C8H8O4

Net Charge

Average Mass

168.14672

Monoisotopic Mass

168.04226

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)

InChIKey

IGMNYECMUMZDDF-UHFFFAOYSA-N

SMILES

OC(=O)Cc1cc(O)ccc1O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

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

ChEBI Ontology
Outgoing	homogentisic acid (CHEBI:44747) has functional parent phenylacetic acid (CHEBI:30745) homogentisic acid (CHEBI:44747) has role human metabolite (CHEBI:77746) homogentisic acid (CHEBI:44747) has role plant metabolite (CHEBI:76924) homogentisic acid (CHEBI:44747) is a dihydroxyphenylacetic acid (CHEBI:61409) homogentisic acid (CHEBI:44747) is a hydroquinones (CHEBI:24646) homogentisic acid (CHEBI:44747) is conjugate acid of homogentisate (CHEBI:16169)

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

IUPAC Name

(2,5-dihydroxyphenyl)acetic acid

Synonyms	Sources
2,5-Dihydroxyphenylacetic acid	KEGG COMPOUND
2-(3,6-DIHYDROXYPHENYL)ACETIC ACID	PDBeChem
Homogentisic acid	KEGG COMPOUND

Last Modified

23 October 2015