EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:166658 - Dihydroxyphenylpropionic acid

ChEBI IDCHEBI:166658
ChEBI NameDihydroxyphenylpropionic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H10O4
Net Charge0
Average Mass182.175
Monoisotopic Mass182.05791
SMILESO=C(O)CC(O)c1ccc(O)cc1
InChIInChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8,10-11H,5H2,(H,12,13)
InChIKeyAKWHTKRUNUYXDS-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Dihydroxyphenylpropionic acid (CHEBI:166658) is a benzenes (CHEBI:22712)
Dihydroxyphenylpropionic acid (CHEBI:166658) is a monocarboxylic acid (CHEBI:25384)
Dihydroxyphenylpropionic acid (CHEBI:166658) is conjugate acid of 3-hydroxy-3-(4-hydroxyphenyl)propanoate (CHEBI:229975)
Incoming Relation(s)
3-hydroxy-3-(4-hydroxyphenyl)propanoate (CHEBI:229975) is conjugate base of Dihydroxyphenylpropionic acid (CHEBI:166658)
IUPAC Name 
3-hydroxy-3-(4-hydroxyphenyl)propanoic acid
Manual XrefsDatabases
13612541ChemSpider
HMDB0124923HMDB
Registry NumbersSources
CAS:76833-34-6ChemIDplus