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CHEBI:185447 - (2R)-3-(Octadecyloxy)-2-(tetradecanoyloxy)propyl icosanoate

ChEBI IDCHEBI:185447
ChEBI Name(2R)-3-(Octadecyloxy)-2-(tetradecanoyloxy)propyl icosanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H108O5
Net Charge0
Average Mass849.464
Monoisotopic Mass848.81968
SMILESCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C55H108O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3/t53-/m1/s1
InChIKeyQQSPRUUJMSRQBL-IONAWPRUSA-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)-3-(Octadecyloxy)-2-(tetradecanoyloxy)propyl icosanoate (CHEBI:185447) is a diglyceride (CHEBI:18035)
IUPAC Name 
[(2R)-3-octadecoxy-2-tetradecanoyloxypropyl] icosanoate
Manual XrefsDatabases
59654859ChemSpider
HMDB0045502HMDB