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CHEBI:192554 - S-(3-hydroxypropyl)-thioacetate

ChEBI IDCHEBI:192554
ChEBI NameS-(3-hydroxypropyl)-thioacetate
Stars
DefinitionA thioester that is ethanethioic S-acid in which the thiol group is substituted by a (3-hydroxypropyl)sulfanediyl group.
Last Modified7 July 2022
Submittermwilliams
DownloadsMolfile
FormulaC5H10O2S
Net Charge0
Average Mass134.200
Monoisotopic Mass134.04015
SMILESCC(=O)SCCCO
InChIInChI=1S/C5H10O2S/c1-5(7)8-4-2-3-6/h6H,2-4H2,1H3
InChIKeyADIJNQVLNHDJIF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cucumis melo (ncbitaxon:3656) - PubMed (26212782)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
S-(3-hydroxypropyl)-thioacetate (CHEBI:192554) has functional parent ethanethioic S-acid (CHEBI:16555)
S-(3-hydroxypropyl)-thioacetate (CHEBI:192554) has role plant metabolite (CHEBI:76924)
S-(3-hydroxypropyl)-thioacetate (CHEBI:192554) is a primary alcohol (CHEBI:15734)
S-(3-hydroxypropyl)-thioacetate (CHEBI:192554) is a thioester (CHEBI:51277)
IUPAC Name 
S-(3-hydroxypropyl) ethanethioate
Synonyms  Source
thioacetic acid S-(3-hydroxypropyl) esterChEBI
1-[(3-hydroxypropyl)sulfanyl]ethan-1-oneChEBI
1-[(3-hydroxypropyl)sulfanyl]ethanoneChEBI
ethanethioic acid S-(3-hydroxypropyl) esterChEBI
Registry NumbersSources
CAS:115051-66-6ChEBI
Citations