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

ChEBI IDCHEBI:138055
ChEBI Name2,4,5-trihydroxyphenylacetic acid
Stars
DefinitionA benzenetriol that is phenylacetic acid carrying three hydroxy substituents at positions 2, 4 and 5.
Last Modified23 December 2018
SubmitterAnne Morgat
DownloadsMolfile
FormulaC8H8O5
Net Charge0
Average Mass184.147
Monoisotopic Mass184.03717
SMILESO=C(O)Cc1cc(O)c(O)cc1O
InChIInChI=1S/C8H8O5/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3,9-11H,2H2,(H,12,13)
InChIKeyFKWSAXDBQYTQDO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (4799943)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
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 Relation(s)
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 Relation(s)
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 acidHMDB
Manual XrefsDatabases
HMDB0130408HMDB
Registry NumbersSources
Reaxys:2107725Reaxys
Citations