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CHEBI:168791 - 2-[(sulfooxy)methyl]butanoic acid

ChEBI IDCHEBI:168791
ChEBI Name2-[(sulfooxy)methyl]butanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC5H10O6S
Net Charge0
Average Mass198.196
Monoisotopic Mass198.01981
SMILESCCC(COS(=O)(=O)O)C(=O)O
InChIInChI=1S/C5H10O6S/c1-2-4(5(6)7)3-11-12(8,9)10/h4H,2-3H2,1H3,(H,6,7)(H,8,9,10)
InChIKeyMFAAIXPWTQUBBZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
2-[(sulfooxy)methyl]butanoic acid (CHEBI:168791) is a alkyl sulfate (CHEBI:29281)
2-[(sulfooxy)methyl]butanoic acid (CHEBI:168791) is a fatty acid derivative (CHEBI:61697)
IUPAC Name 
2-(sulooxymethyl)butanoic acid
Manual XrefsDatabases
74852901ChemSpider
HMDB0130847HMDB