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CHEBI:184756 - Sorbitan trioleate

Default Structure
ChEBI IDCHEBI:184756
ChEBI NameSorbitan trioleate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H108O8
Net Charge0
Average Mass957.516
Monoisotopic Mass956.80442
SMILES[H][C@]1([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC)OC[C@H](O)[C@H]1OC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C60H108O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-53-55(67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60-59(54(61)52-66-60)68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30,54-55,59-61H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-/t54-,55+,59+,60+/m0/s1
InChIKeyPRXRUNOAOLTIEF-ADSICKODSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
Sorbitan trioleate (CHEBI:184756) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
[(2R)-2-[(2R,3R,4S)-4-hydroxy-3-[(Z)-octadec-9-enoyl]oxyoxolan-2-yl]-2-[(Z)-octadec-9-enoyl]oxyethyl] (Z)-octadec-9-enoate
Manual XrefsDatabases
8095980ChemSpider
Registry NumbersSources
CAS:26266-58-0ChemIDplus