CHEBI:173246 - Glycerol 1,2-diacetate

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ChEBI Name Glycerol 1,2-diacetate
ChEBI ID CHEBI:173246
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C7H12O5
Net Charge 0
Average Mass 176.168
Monoisotopic Mass 176.06847
InChI InChI=1S/C7H12O5/c1-5(9)11-4-7(3-8)12-6(2)10/h7-8H,3-4H2,1-2H3
InChIKey UXDDRFCJKNROTO-UHFFFAOYSA-N
SMILES O(C(COC(=O)C)CO)C(=O)C
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
(via diglyceride )
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via diglyceride )
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ChEBI Ontology
Outgoing Glycerol 1,2-diacetate (CHEBI:173246) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name
(2-acetyloxy-3-hydroxypropyl) acetate
Manual Xrefs Databases
59412 ChemSpider
HMDB0031712 HMDB
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Registry Number Type Source
102-62-5 CAS Registry Number ChemIDplus