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CHEBI:175511 - Butyl oleate sulfate

ChEBI IDCHEBI:175511
ChEBI NameButyl oleate sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H42O6S
Net Charge0
Average Mass434.639
Monoisotopic Mass434.27021
SMILESCCCCOC(=O)CCCCCCC/C=C/CCCCCCCCOS(=O)(=O)O
InChIInChI=1S/C22H42O6S/c1-2-3-20-27-22(23)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-21-28-29(24,25)26/h4-5H,2-3,6-21H2,1H3,(H,24,25,26)/b5-4+
InChIKeyDCFGGGCMICWSJX-SNAWJCMRSA-N
ChEBI Ontology
Outgoing Relation(s)
Butyl oleate sulfate (CHEBI:175511) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
butyl (E)-18-sulooxyoctadec-9-enoate
Manual XrefsDatabases
4940556ChemSpider
HMDB0037511HMDB
Registry NumbersSources
CAS:38621-44-2ChemIDplus