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CHEBI:185515 - SCHEMBL9567921

ChEBI IDCHEBI:185515
ChEBI NameSCHEMBL9567921
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC4H6O8S
Net Charge0
Average Mass214.151
Monoisotopic Mass213.97834
SMILESO=C(O)CC(OS(=O)(=O)O)C(=O)O
InChIInChI=1S/C4H6O8S/c5-3(6)1-2(4(7)8)12-13(9,10)11/h2H,1H2,(H,5,6)(H,7,8)(H,9,10,11)
InChIKeyNEDXTJCJRKUSGT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
SCHEMBL9567921 (CHEBI:185515) is a alkyl sulfate (CHEBI:29281)
SCHEMBL9567921 (CHEBI:185515) is a fatty acid derivative (CHEBI:61697)
IUPAC Name 
2-sulooxybutanedioic acid
Manual XrefsDatabases
96340088ChemSpider