2,4,5-trihydroxyphenylacetic acid (CHEBI:138055)

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ChEBI Name	2,4,5-trihydroxyphenylacetic acid

ChEBI ID	CHEBI:138055

Definition	A benzenetriol that is phenylacetic acid carrying three hydroxy substituents at positions 2, 4 and 5.

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

Submitter	Anne Morgat

Supplier Information

Download	Molfile XML SDF

Formula

C8H8O5

Net Charge

Average Mass

184.146

Monoisotopic Mass

184.03717

InChI

InChI=1S/C8H8O5/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3,9-11H,2H2,(H,12,13)

InChIKey

FKWSAXDBQYTQDO-UHFFFAOYSA-N

SMILES

C1=C(C(=CC(=C1CC(=O)O)O)O)O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: PubMed

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):	human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans.

ChEBI Ontology
Outgoing	2,4,5-trihydroxyphenylacetic acid (CHEBI:138055) has role human urinary metabolite (CHEBI:84087) 2,4,5-trihydroxyphenylacetic acid (CHEBI:138055) has role human xenobiotic metabolite (CHEBI:76967) 2,4,5-trihydroxyphenylacetic acid (CHEBI:138055) is a benzenetriol (CHEBI:22707) 2,4,5-trihydroxyphenylacetic acid (CHEBI:138055) is a phenylacetic acids (CHEBI:25978) 2,4,5-trihydroxyphenylacetic acid (CHEBI:138055) is conjugate acid of 2,4,5-trihydroxyphenylacetate (CHEBI:138056)

Incoming	2,4,5-trihydroxyphenylacetate (CHEBI:138056) is conjugate base of 2,4,5-trihydroxyphenylacetic acid (CHEBI:138055)

IUPAC Name

(2,4,5-trihydroxyphenyl)acetic acid

Synonym	Source
2-(2,4,5-trihydroxyphenyl)acetic acid	HMDB

Registry Number	Type	Source
2107725	Reaxys Registry Number	Reaxys

Last Modified

23 December 2018