CHEBI:87335 - 2-methyl-4-propyl-1,3-oxathiane

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ChEBI Name 2-methyl-4-propyl-1,3-oxathiane
ChEBI ID CHEBI:87335
Definition An organosulfur heterocyclic compound and an oxacycle that is 1,3-oxathiane substituted by a methyl group at position 2 and a propyl group at position 4 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H16OS
Net Charge 0
Average Mass 160.27700
Monoisotopic Mass 160.09219
InChI InChI=1S/C8H16OS/c1-3-4-8-5-6-9-7(2)10-8/h7-8H,3-6H2,1-2H3
InChIKey GKGOLPMYJJXRGD-UHFFFAOYSA-N
SMILES CCCC1CCOC(C)S1
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 2-methyl-4-propyl-1,3-oxathiane (CHEBI:87335) has role metabolite (CHEBI:25212)
2-methyl-4-propyl-1,3-oxathiane (CHEBI:87335) is a organosulfur heterocyclic compound (CHEBI:38106)
2-methyl-4-propyl-1,3-oxathiane (CHEBI:87335) is a oxacycle (CHEBI:38104)
IUPAC Name
2-methyl-4-propyl-1,3-oxathiane
Registry Number Type Source
13320064 Reaxys Registry Number Reaxys
Last Modified
02 September 2015