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CHEBI:185243 - (2S)-2-(Octadecyloxy)-3-(pentadecanoyloxy)propyl (13Z,16Z)-docosa-13,16-dienoate

ChEBI IDCHEBI:185243
ChEBI Name(2S)-2-(Octadecyloxy)-3-(pentadecanoyloxy)propyl (13Z,16Z)-docosa-13,16-dienoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H110O5
Net Charge0
Average Mass887.513
Monoisotopic Mass886.83533
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C58H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-55-56(54-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,56H,4-15,17-18,20-24,26,28-55H2,1-3H3/b19-16-,27-25-/t56-/m0/s1
InChIKeyRZFGZSZUOPNJMR-AFBXCYEQSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-(Octadecyloxy)-3-(pentadecanoyloxy)propyl (13Z,16Z)-docosa-13,16-dienoate (CHEBI:185243) is a diglyceride (CHEBI:18035)
IUPAC Name 
[(2S)-2-octadecoxy-3-pentadecanoyloxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
HMDB0043820HMDB
59653314ChemSpider