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CHEBI:168815 - (2Z)-2-[(sulfooxy)methyl]but-2-enoic acid

ChEBI IDCHEBI:168815
ChEBI Name(2Z)-2-[(sulfooxy)methyl]but-2-enoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC5H8O6S
Net Charge0
Average Mass196.180
Monoisotopic Mass196.00416
SMILESC/C=C(/COS(=O)(=O)O)C(=O)O
InChIInChI=1S/C5H8O6S/c1-2-4(5(6)7)3-11-12(8,9)10/h2H,3H2,1H3,(H,6,7)(H,8,9,10)/b4-2-
InChIKeyPVFFZPJSBGRRSS-RQOWECAXSA-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)
(2Z)-2-[(sulfooxy)methyl]but-2-enoic acid (CHEBI:168815) is a alkyl sulfate (CHEBI:29281)
(2Z)-2-[(sulfooxy)methyl]but-2-enoic acid (CHEBI:168815) is a fatty acid derivative (CHEBI:61697)
IUPAC Name 
(Z)-2-(sulooxymethyl)but-2-enoic acid
Manual XrefsDatabases
74852456ChemSpider
HMDB0129117HMDB