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CHEBI:185166 - 3-[(9Z,12Z,15Z)-Octadeca-9,12,15-trienoyloxy]-2-(octadecyloxy)propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

Default Structure
ChEBI IDCHEBI:185166
ChEBI Name3-[(9Z,12Z,15Z)-Octadeca-9,12,15-trienoyloxy]-2-(octadecyloxy)propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Stars
Last Modified24 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H100O5
Net Charge0
Average Mass865.422
Monoisotopic Mass864.75708
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,29-30,55H,4-7,10,13-16,19,22-25,28,31-54H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-
InChIKeyCIRBGWLWKTYNRN-AKGJLPINSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
3-[(9Z,12Z,15Z)-Octadeca-9,12,15-trienoyloxy]-2-(octadecyloxy)propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate (CHEBI:185166) is a alkyldiacylglyceride (CHEBI:166986)
IUPAC Name 
[3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-2-octadecoxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Manual XrefsDatabases
30778323ChemSpider
HMDB0055351HMDB