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(Q105111377)
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methylcysteine
group of stereoisomers with the chemical formula C₄H₉NO₂S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
135.035399528
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄H₉NO₂S
0 references
canonical SMILES
O=C(O)C(N)CSC
0 references
found in taxon
Allium cepa
2 references
stated in
Unbiased profiling of volatile organic compounds in the headspace of Allium plants using an in-tube extraction device
stated in
Nonvolatile S-alk(en)ylthio-L-cysteine derivatives in fresh onion (Allium cepa L. cultivar)
Identifiers
InChI
InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
0 references
InChIKey
IDIDJDIHTAOVLG-UHFFFAOYSA-N
0 references
CAS Registry Number
7728-98-5
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
225710
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IDIDJDIHTAOVLG-UHFFFAOYSA-N
25200522
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IDIDJDIHTAOVLG-UHFFFAOYSA-N
ChEBI ID
229268
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
UniChem compound ID
24636295
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN_ReSpect-PS114401
1 reference
InChIKey
IDIDJDIHTAOVLG-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS114402
1 reference
InChIKey
IDIDJDIHTAOVLG-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
NMRShiftDB structure ID
20200239
1 reference
matched by identifier from
InChIKey
InChIKey
IDIDJDIHTAOVLG-UHFFFAOYSA-N
DSSTox substance ID
DTXSID701352087
1 reference
matched by identifier from
InChIKey
InChIKey
IDIDJDIHTAOVLG-UHFFFAOYSA-N
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