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CHEBI:185078 - (2R)-2-[(11Z)-Octadec-11-enoyloxy]-3-(octadecyloxy)propyl (11Z)-icos-11-enoate

Default Structure
ChEBI IDCHEBI:185078
ChEBI Name(2R)-2-[(11Z)-Octadec-11-enoyloxy]-3-(octadecyloxy)propyl (11Z)-icos-11-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H112O5
Net Charge0
Average Mass901.540
Monoisotopic Mass900.85098
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h21,24-25,28,57H,4-20,22-23,26-27,29-56H2,1-3H3/b24-21-,28-25-/t57-/m1/s1
InChIKeyLQFACPSTFHEEKK-BMOJGYJNSA-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)
(2R)-2-[(11Z)-Octadec-11-enoyloxy]-3-(octadecyloxy)propyl (11Z)-icos-11-enoate (CHEBI:185078) is a diglyceride (CHEBI:18035)
IUPAC Name 
[(2R)-2-[(Z)-octadec-11-enoyl]oxy-3-octadecoxypropyl] (Z)-icos-11-enoate
Manual XrefsDatabases
59660422ChemSpider
HMDB0050489HMDB