MME
N-METHYL METHIONINE
Created: | 1999-10-14 |
Last modified: | 2024-09-27 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 23 |
Chiral Atom Count | 1 |
Bond Count | 22 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
---|---|
Name | N-METHYL METHIONINE |
Systematic Name (OpenEye OEToolkits) | (2S)-2-methylamino-4-methylsulfanyl-butanoic acid |
Formula | C6 H13 N O2 S |
Molecular Weight | 163.238 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(NC)CCSC |
SMILES | CACTVS | 3.341 | CN[CH](CCSC)C(O)=O |
SMILES | OpenEye OEToolkits | 1.5.0 | CNC(CCSC)C(=O)O |
Canonical SMILES | CACTVS | 3.341 | CN[C@@H](CCSC)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CN[C@@H](CCSC)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C6H13NO2S/c1-7-5(6(8)9)3-4-10-2/h5,7H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1 |
InChIKey | InChI | 1.03 | YAXAFCHJCYILRU-YFKPBYRVSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 6451891, 51351776 |
ChEMBL | CHEMBL48185 |
ChEBI | CHEBI:61885, CHEBI:44003 |