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CHEBI:88156 - diacetin

ChEBI IDCHEBI:88156
ChEBI Namediacetin
Stars
DefinitionA diglyceride resulting from the formal condensation of any two of the hydroxy groups of glycerol with the carboxy groups of two molecules of acetic acid (either R1 = H and R2 = Ac, or R1 = Ac and R2 = H).
Last Modified8 January 2016
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC7H12O5
Net Charge0
Average Mass (excl. R groups)176.167
Monoisotopic Mass (excl. R groups)176.06847
SMILES[1*]OC(CO[2*])COC(C)=O
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)
diacetin (CHEBI:88156) is a acetate ester (CHEBI:47622)
diacetin (CHEBI:88156) is a alcohol (CHEBI:30879)
diacetin (CHEBI:88156) is a diester (CHEBI:51307)
diacetin (CHEBI:88156) is a diglyceride (CHEBI:18035)
Synonyms  Source
propane-1,2,3-triol diacetateChEBI
glyceryl diacetateChemIDplus
glycerin diacetateChemIDplus
glycerine diacetateChemIDplus
glycerol diacetateChemIDplus
diacetylglycerolChemIDplus
UniProt Name  Source
diacetylglycerolUniProt
Registry NumbersSources
CAS:25395-31-7ChemIDplus
CAS:25395-31-7NIST Chemistry WebBook
Citations