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CHEBI:184992 - (2S)-2-(Octadecyloxy)-3-(tetradecanoyloxy)propyl (9Z,12Z)-octadeca-9,12-dienoate

ChEBI IDCHEBI:184992
ChEBI Name(2S)-2-(Octadecyloxy)-3-(tetradecanoyloxy)propyl (9Z,12Z)-octadeca-9,12-dienoate
Stars
Last Modified24 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H100O5
Net Charge0
Average Mass817.378
Monoisotopic Mass816.75708
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C53H100O5/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/h17,20,25,27,51H,4-16,18-19,21-24,26,28-50H2,1-3H3/b20-17-,27-25-/t51-/m0/s1
InChIKeyGALRBVXQCSIHTJ-ZZPLNQQVSA-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 (9Z,12Z)-octadeca-9,12-dienoate (CHEBI:184992) is a triacylglycerol O-50:2 (CHEBI:167020)
IUPAC Name 
[(2S)-2-octadecoxy-3-tetradecanoyloxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
Manual XrefsDatabases
59652481ChemSpider
HMDB0042946HMDB