CHEBI:87360 - 1,3-diacetoxypropane

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ChEBI Name 1,3-diacetoxypropane
ChEBI ID CHEBI:87360
Definition An acetate ester obtained by the formal condensation of the two hydroxy groups of propane-1,3-diol with acetic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C7H12O4
Net Charge 0
Average Mass 160.16780
Monoisotopic Mass 160.07356
InChI InChI=1S/C7H12O4/c1-6(8)10-4-3-5-11-7(2)9/h3-5H2,1-2H3
InChIKey DSVGICPKBRQDDX-UHFFFAOYSA-N
SMILES CC(=O)OCCCOC(C)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 1,3-diacetoxypropane (CHEBI:87360) has functional parent propane-1,3-diol (CHEBI:16109)
1,3-diacetoxypropane (CHEBI:87360) has role metabolite (CHEBI:25212)
1,3-diacetoxypropane (CHEBI:87360) is a acetate ester (CHEBI:47622)
1,3-diacetoxypropane (CHEBI:87360) is a diester (CHEBI:51307)
IUPAC Name
propane-1,3-diyl diacetate
Registry Numbers Types Sources
1705913 Reaxys Registry Number Reaxys
628-66-0 CAS Registry Number ChemIDplus
628-66-0 CAS Registry Number NIST Chemistry WebBook
Last Modified
01 September 2015