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CHEBI:184687 - (2S)-2-(Octadecyloxy)-3-(tetradecanoyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate

ChEBI IDCHEBI:184687
ChEBI Name(2S)-2-(Octadecyloxy)-3-(tetradecanoyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
Stars
Last Modified24 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H96O5
Net Charge0
Average Mass813.346
Monoisotopic Mass812.72578
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C53H96O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-51(49-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)50-58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,32,35,51H,4-7,9-10,12-16,18-19,21-24,26,28-31,33-34,36-50H2,1-3H3/b11-8-,20-17-,27-25-,35-32-/t51-/m0/s1
InChIKeyPJVLGMXQKWNEBD-NWDKAOCPSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-(Octadecyloxy)-3-(tetradecanoyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate (CHEBI:184687) is a alkyldiacylglyceride (CHEBI:166986)
IUPAC Name 
[(2S)-2-octadecoxy-3-tetradecanoyloxypropyl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
Manual XrefsDatabases
HMDB0042955HMDB
59652490ChemSpider