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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
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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.
View more via ChEBI Ontology
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
Types
Sources
26212782
PubMed citation
Europe PMC
33276447
PubMed citation
Europe PMC
Last Modified
07 July 2022