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CHEBI:176754 - (2S)-3-Hydroxy-2-(octanoyloxy)propyl decanoate

ChEBI IDCHEBI:176754
ChEBI Name(2S)-3-Hydroxy-2-(octanoyloxy)propyl decanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H40O5
Net Charge0
Average Mass372.546
Monoisotopic Mass372.28757
SMILESCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC
InChIInChI=1S/C21H40O5/c1-3-5-7-9-10-12-13-15-20(23)25-18-19(17-22)26-21(24)16-14-11-8-6-4-2/h19,22H,3-18H2,1-2H3/t19-/m0/s1
InChIKeyXDYVDYBOLARYBO-IBGZPJMESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
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-Hydroxy-2-(octanoyloxy)propyl decanoate (CHEBI:176754) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-3-hydroxy-2-octanoyloxypropyl] decanoate
Manual XrefsDatabases
HMDB0092959HMDB
34989566ChemSpider