Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:8475 - propanethial
S
-oxide
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
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.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Formula
C3H6OS
Net Charge
0
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.
View more via ChEBI Ontology
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-λ
4
-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
Manual Xrefs
Databases
390214
ChemSpider
C00001266
KNApSAcK
C08389
KEGG COMPOUND
FDB020071
FooDB
HMDB0040346
HMDB
View more database links
Registry Numbers
Types
Sources
32157-29-2
CAS Registry Number
ChemIDplus
32157-29-2
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
11312798
PubMed citation
Europe PMC
12384686
PubMed citation
Europe PMC
18583530
PubMed citation
Europe PMC
22451383
PubMed citation
Europe PMC
28898424
PubMed citation
Europe PMC
30405025
PubMed citation
Europe PMC
5546155
PubMed citation
Europe PMC
IND20471871
Agricola citation
Europe PMC
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].