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CHEBI:184814 - (2R)-1-(Octadecyloxy)-3-(tetradecanoyloxy)propan-2-yl docosanoate

ChEBI IDCHEBI:184814
ChEBI Name(2R)-1-(Octadecyloxy)-3-(tetradecanoyloxy)propan-2-yl docosanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H112O5
Net Charge0
Average Mass877.518
Monoisotopic Mass876.85098
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C57H112O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3/t55-/m1/s1
InChIKeyYIZMLCVKBQCOEF-KZRJWCEASA-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)
(2R)-1-(Octadecyloxy)-3-(tetradecanoyloxy)propan-2-yl docosanoate (CHEBI:184814) is a diglyceride (CHEBI:18035)
IUPAC Name 
[(2R)-1-octadecoxy-3-tetradecanoyloxypropan-2-yl] docosanoate
Manual XrefsDatabases
HMDB0042240HMDB
59651801ChemSpider