EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:185088 - (2S)-2-(Octadecyloxy)-3-(tetradecanoyloxy)propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

ChEBI IDCHEBI:185088
ChEBI Name(2S)-2-(Octadecyloxy)-3-(tetradecanoyloxy)propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Stars
Last Modified24 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H98O5
Net Charge0
Average Mass815.362
Monoisotopic Mass814.74143
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C53H98O5/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/h8,11,17,20,25,27,51H,4-7,9-10,12-16,18-19,21-24,26,28-50H2,1-3H3/b11-8-,20-17-,27-25-/t51-/m0/s1
InChIKeyJVQPMEHNCRQDEV-LKQOCZCUSA-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,15Z)-octadeca-9,12,15-trienoate (CHEBI:185088) is a alkyldiacylglyceride (CHEBI:166986)
IUPAC Name 
[(2S)-2-octadecoxy-3-tetradecanoyloxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Manual XrefsDatabases
59652489ChemSpider
HMDB0042954HMDB