EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:169175 - 3-[4-hydroxy-3-(sulfooxy)phenyl]-2-oxopropanoic acid

ChEBI IDCHEBI:169175
ChEBI Name3-[4-hydroxy-3-(sulfooxy)phenyl]-2-oxopropanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H8O8S
Net Charge0
Average Mass276.222
Monoisotopic Mass275.99399
SMILESO=C(O)C(=O)Cc1ccc(O)c(OS(=O)(=O)O)c1
InChIInChI=1S/C9H8O8S/c10-6-2-1-5(3-7(11)9(12)13)4-8(6)17-18(14,15)16/h1-2,4,10H,3H2,(H,12,13)(H,14,15,16)
InChIKeyOYGZUDCFIYVFLR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-[4-hydroxy-3-(sulfooxy)phenyl]-2-oxopropanoic acid (CHEBI:169175) has functional parent pyruvic acid (CHEBI:32816)
3-[4-hydroxy-3-(sulfooxy)phenyl]-2-oxopropanoic acid (CHEBI:169175) is a 2-oxo monocarboxylic acid (CHEBI:35910)
IUPAC Name 
3-(4-hydroxy-3-sulooxyphenyl)-2-oxopropanoic acid
Manual XrefsDatabases
74851712ChemSpider
HMDB0125450HMDB