L-methionine   

GtoPdb Ligand ID: 4814

Abbreviated name: L-Met
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 88.62
Molecular weight 149.05
XLogP -1.85
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CSCCC(C(=O)O)N
Isomeric SMILES CSCC[C@@H](C(=O)O)N
InChI InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChI Key FFEARJCKVFRZRR-BYPYZUCNSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
(2S)-2-amino-4-(methylsulfanyl)butanoic acid
International Nonproprietary Names
INN number INN
452 methionine
Database Links
CAS Registry No. 63-68-3 (source: Scifinder)
ChEBI CHEBI:16643
ChEMBL Ligand CHEMBL42336
DrugBank Ligand DB00134
DrugCentral Ligand 3347
GtoPdb PubChem SID 178101516
PubChem CID 6137
RCSB PDB Ligand MET
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