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CHEBI:8475 - propanethial S-oxide

ChEBI IDCHEBI:8475
ChEBI Namepropanethial S-oxide
Stars
ASCII Namepropanethial S-oxide
DefinitionA thiocarbonyl compound that is propanethial in which the sulfur atom carries an oxo group. It is a lachrymatory factor found in onions.
Last Modified12 November 2021
DownloadsMolfile
FormulaC3H6OS
Net Charge0
Average Mass90.147
Monoisotopic Mass90.01394
SMILESCCC=S=O
InChIInChI=1S/C3H6OS/c1-2-3-5-4/h3H,2H2,1H3
InChIKeyBAZSXBOAXJLRNH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Allium cepa (ncbitaxon:4679) - PubMed (30405025)
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)
propanethial S-oxide (CHEBI:8475) has role plant metabolite (CHEBI:76924)
propanethial S-oxide (CHEBI:8475) is a sulfoxide (CHEBI:22063)
propanethial S-oxide (CHEBI:8475) is a thiocarbonyl compound (CHEBI:50492)
Incoming Relation(s)
(E)-propanethial S-oxide (CHEBI:183658) is a propanethial S-oxide (CHEBI:8475)
(Z)-propanethial S-oxide (CHEBI:183657) is a propanethial S-oxide (CHEBI:8475)
IUPAC Name 
1-(oxido-λ4-sulfanylidene)propane
Synonyms  Source
propanethial S-oxideKEGG COMPOUND
thiopropanal S-oxideKEGG COMPOUND
1-sulfinylidenepropaneChEBI
thiopropionaldehyde S-oxideChEBI
propylidenesulfoniumolateIUPAC
UniProt Name  Source
propanethial S-oxideUniProt
Manual XrefsDatabases
C08389KEGG COMPOUND
C00001266KNApSAcK
HMDB0040346HMDB
390214ChemSpider
FDB020071FooDB
Registry NumbersSources
CAS:32157-29-2NIST Chemistry WebBook
CAS:32157-29-2ChemIDplus
Citations