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CHEBI:185085 - (2S)-3-(Hexadecanoyloxy)-2-(octadecyloxy)propyl (11Z)-icos-11-enoate

ChEBI IDCHEBI:185085
ChEBI Name(2S)-3-(Hexadecanoyloxy)-2-(octadecyloxy)propyl (11Z)-icos-11-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H110O5
Net Charge0
Average Mass875.502
Monoisotopic Mass874.83533
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-54-55(53-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25,27,55H,4-24,26,28-54H2,1-3H3/b27-25-/t55-/m0/s1
InChIKeyXTQUNVXMTVIEJG-AFHCKBSLSA-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)-3-(Hexadecanoyloxy)-2-(octadecyloxy)propyl (11Z)-icos-11-enoate (CHEBI:185085) is a diglyceride (CHEBI:18035)
IUPAC Name 
[(2S)-3-hexadecanoyloxy-2-octadecoxypropyl] (Z)-icos-11-enoate
Manual XrefsDatabases
59654068ChemSpider
HMDB0044650HMDB