| Number |
qtl-m1157 |
| Declustering Potential(DP) |
|
| Collision Energy(CE) |
|
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
182 |
| Product ions(Q3) |
136 |
| Main fragments |
|
| Compound |
L-Methionine sulfone |
| Identification |
putative |
| class |
Amino acid derivative |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:21363 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
7314-32-1;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
methionine sulfone;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A methionine derivative where the sulphur is oxidised to a sulphone.;; |
| DrugBank Database Links |
|
| Formulae |
C5H11NO4S;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
(2S)-2-amino-4-(methylsulfonyl)butanoic acid;; |
| InChI |
InChI=1S/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1;; |
| InChIKey |
UCUNFLYVYCGDHP-BYPYZUCNSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
06 Oct 2015;; |
| Mass |
181.21000;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
164174505;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
939991;;20944408;;18071251;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
CS(=O)(=O)CC[C@H](N)C(O)=O;; |
| Secondary ChEBI ID |
CHEBI:44524;; |
| Star |
3;; |
| Synonyms |
L-methionine sulfone;;L-2-amino-4-(methylsulfonyl)butanoic acid;;(S)-Amino-4-(methylsulphonyl)butyric acid;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
P76112;;P42321;; |
| ChEBI Image |
 |
| |
|
