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CHEBI:173246 - Glycerol 1,2-diacetate

ChEBI IDCHEBI:173246
ChEBI NameGlycerol 1,2-diacetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H12O5
Net Charge0
Average Mass176.168
Monoisotopic Mass176.06847
SMILESCC(=O)OCC(CO)OC(C)=O
InChIInChI=1S/C7H12O5/c1-5(9)11-4-7(3-8)12-6(2)10/h7-8H,3-4H2,1-2H3
InChIKeyUXDDRFCJKNROTO-UHFFFAOYSA-N
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)
Glycerol 1,2-diacetate (CHEBI:173246) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
(2-acetyloxy-3-hydroxypropyl) acetate
Manual XrefsDatabases
HMDB0031712HMDB
59412ChemSpider
Registry NumbersSources
CAS:102-62-5ChemIDplus