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CHEBI:185011 - (2R)-1-[(11Z)-Icos-11-enoyloxy]-3-(octadecyloxy)propan-2-yl (11Z)-icos-11-enoate

ChEBI IDCHEBI:185011
ChEBI Name(2R)-1-[(11Z)-Icos-11-enoyloxy]-3-(octadecyloxy)propan-2-yl (11Z)-icos-11-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H116O5
Net Charge0
Average Mass929.594
Monoisotopic Mass928.88228
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@@H](COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C61H116O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,59H,4-24,27,30-58H2,1-3H3/b28-25-,29-26-/t59-/m1/s1
InChIKeyQZSMPWVATGOHPH-IRFFKQRJSA-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-[(11Z)-Icos-11-enoyloxy]-3-(octadecyloxy)propan-2-yl (11Z)-icos-11-enoate (CHEBI:185011) is a diglyceride (CHEBI:18035)
IUPAC Name 
[(2R)-2-[(Z)-icos-11-enoyl]oxy-3-octadecoxypropyl] (Z)-icos-11-enoate
Manual XrefsDatabases
HMDB0050527HMDB
59660455ChemSpider