CHEBI:183688 - Sorbitan monooleate

ChEBI IDCHEBI:183688
ChEBI NameSorbitan monooleate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H44O6
Net Charge0
Average Mass428.610
Monoisotopic Mass428.31379
SMILES[H][C@]1([C@H](O)COC(=O)CCCCCCC/C=C\CCCCCCCC)OC[C@H](O)[C@H]1O
InChIInChI=1S/C24H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h9-10,20-21,23-26,28H,2-8,11-19H2,1H3/b10-9-/t20-,21+,23+,24+/m0/s1
InChIKeyNWGKJDSIEKMTRX-AAZCQSIUSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
Sorbitan monooleate (CHEBI:183688) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-octadec-9-enoate
Manual XrefsDatabases
8095979ChemSpider
Registry NumbersSources
CAS:1338-43-8ChemIDplus