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CHEBI:172640 - 3-(Acetyloxy)-2-hydroxypropyl octadecanoate

ChEBI IDCHEBI:172640
ChEBI Name3-(Acetyloxy)-2-hydroxypropyl octadecanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H44O5
Net Charge0
Average Mass400.600
Monoisotopic Mass400.31887
SMILESCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(C)=O
InChIInChI=1S/C23H44O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)28-20-22(25)19-27-21(2)24/h22,25H,3-20H2,1-2H3
InChIKeyRGGBUUSHDAWGIN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
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)
3-(Acetyloxy)-2-hydroxypropyl octadecanoate (CHEBI:172640) is a 1,3-diglyceride (CHEBI:47777)
IUPAC Name 
(3-acetyloxy-2-hydroxypropyl) octadecanoate
Manual XrefsDatabases
278038ChemSpider
HMDB0059929HMDB
Registry NumbersSources
CAS:820-17-7ChemIDplus