propanethial S-oxide (CHEBI:8475)

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ChEBI Name	propanethial S-oxide

ChEBI ID	CHEBI:8475

ChEBI ASCII Name	propanethial S-oxide

Definition	A thiocarbonyl compound that is propanethial in which the sulfur atom carries an oxo group. It is a lachrymatory factor found in onions.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C3H6OS

Net Charge

Average Mass

90.140

Monoisotopic Mass

90.01394

InChI

InChI=1S/C3H6OS/c1-2-3-5-4/h3H,2H2,1H3

InChIKey

BAZSXBOAXJLRNH-UHFFFAOYSA-N

SMILES

CCC=S=O

Metabolite of Species	Details
Allium cepa (NCBI:txid4679)	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.

ChEBI Ontology
Outgoing	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	(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	Sources
1-sulfinylidenepropane	ChEBI
propanethial S-oxide	KEGG COMPOUND
propanethial S-oxide	UniProt
propylidenesulfoniumolate	IUPAC
thiopropanal S-oxide	KEGG COMPOUND
thiopropionaldehyde S-oxide	ChEBI

Last Modified

12 November 2021

General Comment
2021-11-12	Note that this is the entry for material with unspecified configuration. There are separate entries for the individual isomers [(E)-propanethial S-oxide and (Z)-propanethial S-oxide].