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CHEBI:171912 - 3-(Acetyloxy)-2-hydroxypropyl icosanoate

ChEBI IDCHEBI:171912
ChEBI Name3-(Acetyloxy)-2-hydroxypropyl icosanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H48O5
Net Charge0
Average Mass428.654
Monoisotopic Mass428.35017
SMILESCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(C)=O
InChIInChI=1S/C25H48O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(28)30-22-24(27)21-29-23(2)26/h24,27H,3-22H2,1-2H3
InChIKeyBTMNZFJQAYHOPN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
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 icosanoate (CHEBI:171912) is a 1,3-diglyceride (CHEBI:47777)
IUPAC Name 
(3-acetyloxy-2-hydroxypropyl) icosanoate
Manual XrefsDatabases
5254059ChemSpider
HMDB0059928HMDB