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CHEBI:167078 - 2-Hydroxyethyl propyl sulfide

ChEBI IDCHEBI:167078
ChEBI Name2-Hydroxyethyl propyl sulfide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC5H12OS
Net Charge0
Average Mass120.217
Monoisotopic Mass120.06089
SMILESCCCSCCO
InChIInChI=1S/C5H12OS/c1-2-4-7-5-3-6/h6H,2-5H2,1H3
InChIKeyKCWWXXYQPUDKBX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Tuber magnatum (ncbitaxon:42249) fruit body (BTO:0000487) MetaboLights (MTBLS808) Strain: Tuber magnatum Pico
ChEBI Ontology
Outgoing Relation(s)
2-Hydroxyethyl propyl sulfide (CHEBI:167078) is a aliphatic sulfide (CHEBI:22327)
IUPAC Name 
2-propylsulanylethanol
Manual XrefsDatabases
81103ChemSpider
266PDBeChem
Registry NumbersSources
CAS:22812-90-4ChemIDplus