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CHEBI:184842 - (2R)-1-(Docosanoyloxy)-3-(octadecyloxy)propan-2-yl (13Z)-docos-13-enoate

ChEBI IDCHEBI:184842
ChEBI Name(2R)-1-(Docosanoyloxy)-3-(octadecyloxy)propan-2-yl (13Z)-docos-13-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC65H126O5
Net Charge0
Average Mass987.718
Monoisotopic Mass986.96053
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C65H126O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h26,29,63H,4-25,27-28,30-62H2,1-3H3/b29-26-/t63-/m1/s1
InChIKeyUILFEIXCSWJXQS-GDMFYWOWSA-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-(Docosanoyloxy)-3-(octadecyloxy)propan-2-yl (13Z)-docos-13-enoate (CHEBI:184842) is a diglyceride (CHEBI:18035)
IUPAC Name 
[(2R)-2-[(Z)-docos-13-enoyl]oxy-3-octadecoxypropyl] docosanoate
Manual XrefsDatabases
59655868ChemSpider
HMDB0046605HMDB