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

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ChEBI Name S-(3-hydroxypropyl)-thioacetate
ChEBI ID CHEBI:192554
Definition A thioester that is ethanethioic S-acid in which the thiol group is substituted by a (3-hydroxypropyl)sulfanediyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information
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Formula C5H10O2S
Net Charge 0
Average Mass 134.190
Monoisotopic Mass 134.04015
InChI InChI=1S/C5H10O2S/c1-5(7)8-4-2-3-6/h6H,2-4H2,1H3
InChIKey ADIJNQVLNHDJIF-UHFFFAOYSA-N
SMILES CC(=O)SCCCO
Metabolite of Species Details
Cucumis melo (NCBI:txid3656) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 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 Sources
1-[(3-hydroxypropyl)sulfanyl]ethan-1-one ChEBI
1-[(3-hydroxypropyl)sulfanyl]ethanone ChEBI
ethanethioic acid S-(3-hydroxypropyl) ester ChEBI
thioacetic acid S-(3-hydroxypropyl) ester ChEBI
Registry Number Type Source
115051-66-6 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
26212782 PubMed citation Europe PMC
33276447 PubMed citation Europe PMC
Last Modified
07 July 2022