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CHEBI:185339 - 2-[4-Hydroxy-3-(octadecanoyloxy)oxolan-2-yl]-2-(octadecanoyloxy)ethyl octadecanoate

Default Structure
ChEBI IDCHEBI:185339
ChEBI Name2-[4-Hydroxy-3-(octadecanoyloxy)oxolan-2-yl]-2-(octadecanoyloxy)ethyl octadecanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H114O8
Net Charge0
Average Mass963.564
Monoisotopic Mass962.85137
SMILESCCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCCCC)C1OCC(O)C1OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C60H114O8/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/h54-55,59-61H,4-53H2,1-3H3
InChIKeyIJCWFDPJFXGQBN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
2-[4-Hydroxy-3-(octadecanoyloxy)oxolan-2-yl]-2-(octadecanoyloxy)ethyl octadecanoate (CHEBI:185339) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
[2-(4-hydroxy-3-octadecanoyloxyoxolan-2-yl)-2-octadecanoyloxyethyl] octadecanoate
Manual XrefsDatabases
15943131ChemSpider
HMDB0029890HMDB