CHEBI:193951 - xi-2-Acetylthietane

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name xi-2-Acetylthietane
ChEBI ID CHEBI:193951
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C5H8OS
Net Charge 0
Average Mass 116.180
Monoisotopic Mass 116.02959
InChI InChI=1S/C5H8OS/c1-4(6)5-2-3-7-5/h5H,2-3H2,1H3
InChIKey LHLNSXFHEGETML-UHFFFAOYSA-N
SMILES S1C(CC1)C(=O)C
Metabolite of Species Details
mock community culture Found in Whole Organism (NCIT:C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing xi-2-Acetylthietane (CHEBI:193951) is a organosulfur heterocyclic compound (CHEBI:38106)
xi-2-Acetylthietane (CHEBI:193951) is a saturated organic heteromonocyclic parent (CHEBI:36389)
IUPAC Name
1-(thietan-2-yl)ethanone
Manual Xrefs Databases
458723 ChemSpider
HMDB0040258 HMDB
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