CHEBI:167078 - 2-Hydroxyethyl propyl sulfide

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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 2-Hydroxyethyl propyl sulfide
ChEBI ID CHEBI:167078
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C5H12OS
Net Charge 0
Average Mass 120.210
Monoisotopic Mass 120.06089
InChI InChI=1S/C5H12OS/c1-2-4-7-5-3-6/h6H,2-5H2,1H3
InChIKey KCWWXXYQPUDKBX-UHFFFAOYSA-N
SMILES S(CCC)CCO
Metabolite of Species Details
Tuber magnatum (NCBI:txid42249) Found in fruit body (BTO:0000487). of strain Tuber magnatum Pico See: MetaboLights Study
ChEBI Ontology
Outgoing 2-Hydroxyethyl propyl sulfide (CHEBI:167078) is a aliphatic sulfide (CHEBI:22327)
IUPAC Name
2-propylsulanylethanol
Manual Xrefs Databases
266 PDBeChem
81103 ChemSpider
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Registry Number Type Source
22812-90-4 CAS Registry Number ChemIDplus