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CHEBI:185127 - (2S)-3-(Octadecanoyloxy)-2-(octadecyloxy)propyl (9Z)-octadec-9-enoate

ChEBI IDCHEBI:185127
ChEBI Name(2S)-3-(Octadecanoyloxy)-2-(octadecyloxy)propyl (9Z)-octadec-9-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H110O5
Net Charge0
Average Mass875.502
Monoisotopic Mass874.83533
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C57H110O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-55(53-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h26,29,55H,4-25,27-28,30-54H2,1-3H3/b29-26-/t55-/m1/s1
InChIKeyMCIPPLJLYFTODM-OVDKEJHLSA-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-(Octadecanoyloxy)-2-(octadecyloxy)propyl (9Z)-octadec-9-enoate (CHEBI:185127) is a diglyceride (CHEBI:18035)
IUPAC Name 
[(2S)-3-[(Z)-octadec-9-enoyl]oxy-2-octadecoxypropyl] octadecanoate
Manual XrefsDatabases
HMDB0045458HMDB
59654816ChemSpider