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:141184 - (methylsulfanyl)acetaldehyde
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
(methylsulfanyl)acetaldehyde
ChEBI ID
CHEBI:141184
Definition
An aldehyde that is acetaldehyde in which one of the methyl hydrogens has been replaced by a methylsulfanyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Anne Morgat
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C3H6OS
Net Charge
0
Average Mass
90.145
Monoisotopic Mass
90.01394
InChI
InChI=1S/C3H6OS/c1-5-3-2-4/h2H,3H2,1H3
InChIKey
NCNSBFDGXBKAKB-UHFFFAOYSA-N
SMILES
[H]C(CSC)=O
ChEBI Ontology
Outgoing
(methylsulfanyl)acetaldehyde (
CHEBI:141184
)
has functional parent
acetaldehyde (
CHEBI:15343
)
(methylsulfanyl)acetaldehyde (
CHEBI:141184
)
is a
aldehyde (
CHEBI:17478
)
(methylsulfanyl)acetaldehyde (
CHEBI:141184
)
is a
methyl sulfide (
CHEBI:86315
)
Incoming
(methylsulfanyl)acetaldehyde oxime (
CHEBI:50716
)
has functional parent
(methylsulfanyl)acetaldehyde (
CHEBI:141184
)
IUPAC Names
(methylsulfanyl)acetaldehyde
(methylthio)acetaldehyde
Synonyms
Sources
2-(methylmercapto)acetaldehyde
ChemIDplus
2-(methylsulfanyl)acetaldehyde
ChEBI
2-(methylsulfanyl)acetaldehyde
UniProt
2-(methylthio)acetaldehyde
ChEBI
2-[methylthio]ethanal
NIST Chemistry WebBook
2-methylthioacetaldehyde
NIST Chemistry WebBook
methylmercapto acetaldehyde
ChemIDplus
methylthioethanal
ChEBI
Manual Xrefs
Databases
FDB008381
FooDB
HMDB0031718
HMDB
View more database links
Registry Numbers
Types
Sources
1738031
Reaxys Registry Number
Reaxys
23328-62-3
CAS Registry Number
ChemIDplus
23328-62-3
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
19154163
PubMed citation
Europe PMC
29133429
PubMed citation
SUBMITTER
Last Modified
03 July 2020