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CHEBI:185204 - (2S)-3-(Icosanoyloxy)-2-(octadecyloxy)propyl (11Z)-icos-11-enoate

ChEBI IDCHEBI:185204
ChEBI Name(2S)-3-(Icosanoyloxy)-2-(octadecyloxy)propyl (11Z)-icos-11-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H118O5
Net Charge0
Average Mass931.610
Monoisotopic Mass930.89793
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C61H118O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-57-59(64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)58-66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25,28,59H,4-24,26-27,29-58H2,1-3H3/b28-25-/t59-/m1/s1
InChIKeySHHFSCMXXQPSEY-VHEGMGFBSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
(2S)-3-(Icosanoyloxy)-2-(octadecyloxy)propyl (11Z)-icos-11-enoate (CHEBI:185204) is a diglyceride (CHEBI:18035)
IUPAC Name 
[(2S)-3-[(Z)-icos-11-enoyl]oxy-2-octadecoxypropyl] icosanoate
Manual XrefsDatabases
HMDB0046238HMDB
59655540ChemSpider