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CHEBI:184890 - (2R)-1-(Octadecyloxy)-3-(tetradecanoyloxy)propan-2-yl (11Z)-octadec-11-enoate

ChEBI IDCHEBI:184890
ChEBI Name(2R)-1-(Octadecyloxy)-3-(tetradecanoyloxy)propan-2-yl (11Z)-octadec-11-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H102O5
Net Charge0
Average Mass819.394
Monoisotopic Mass818.77273
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C53H102O5/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-48-56-49-51(50-57-52(54)46-43-40-37-34-31-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h20,23,51H,4-19,21-22,24-50H2,1-3H3/b23-20-/t51-/m1/s1
InChIKeyDDAGVUOZQKADMU-FECCDXIYSA-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)-1-(Octadecyloxy)-3-(tetradecanoyloxy)propan-2-yl (11Z)-octadec-11-enoate (CHEBI:184890) is a diglyceride (CHEBI:18035)
IUPAC Name 
[(2R)-1-octadecoxy-3-tetradecanoyloxypropan-2-yl] (Z)-octadec-11-enoate
Manual XrefsDatabases
HMDB0042360HMDB
59651917ChemSpider