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CHEBI:169063 - 2-oxo-3-[4-(sulfooxy)phenyl]propanoic acid

ChEBI IDCHEBI:169063
ChEBI Name2-oxo-3-[4-(sulfooxy)phenyl]propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H8O7S
Net Charge0
Average Mass260.223
Monoisotopic Mass259.99907
SMILESO=C(O)C(=O)Cc1ccc(OS(=O)(=O)O)cc1
InChIInChI=1S/C9H8O7S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4H,5H2,(H,11,12)(H,13,14,15)
InChIKeyRYDYTXAKQCQRAZ-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)
2-oxo-3-[4-(sulfooxy)phenyl]propanoic acid (CHEBI:169063) has functional parent pyruvic acid (CHEBI:32816)
2-oxo-3-[4-(sulfooxy)phenyl]propanoic acid (CHEBI:169063) is a 2-oxo monocarboxylic acid (CHEBI:35910)
IUPAC Name 
2-oxo-3-(4-sulooxyphenyl)propanoic acid
Manual XrefsDatabases
8282180ChemSpider
HMDB0125409HMDB