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CHEBI:185467 - (2R)-1-(Octadecyloxy)-3-(pentadecanoyloxy)propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate

Default Structure
ChEBI IDCHEBI:185467
ChEBI Name(2R)-1-(Octadecyloxy)-3-(pentadecanoyloxy)propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
Stars
Last Modified24 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H102O5
Net Charge0
Average Mass831.405
Monoisotopic Mass830.77273
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C54H102O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-57-50-52(51-58-53(55)47-44-41-38-35-32-24-21-18-15-12-9-6-3)59-54(56)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,52H,4-16,18-19,21-25,27,29-51H2,1-3H3/b20-17-,28-26-/t52-/m1/s1
InChIKeySJKDNXWNQWFMQL-MXIZALJSSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
(2R)-1-(Octadecyloxy)-3-(pentadecanoyloxy)propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate (CHEBI:185467) is a triacylglycerol O-51:2 (CHEBI:189863)
IUPAC Name 
[(2R)-1-octadecoxy-3-pentadecanoyloxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
Manual XrefsDatabases
59652931ChemSpider
HMDB0043423HMDB