L-methionine   Click here for help

GtoPdb Ligand ID: 4814

Abbreviated name: L-Met
PDB Ligand
Compound class: Metabolite
2D Structure
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Physico-chemical Properties
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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

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

SMILES / InChI / InChIKey
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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

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

Classification Click here for help
Compound class Metabolite
IUPAC Name Click here for help
(2S)-2-amino-4-(methylsulfanyl)butanoic acid
International Nonproprietary Names Click here for help
INN number INN
452 methionine
Database Links Click here for help
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
Search Google for chemical match using the InChIKey FFEARJCKVFRZRR-BYPYZUCNSA-N
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Search PubMed clinical trials methionine
Search PubMed titles methionine
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UniChem Compound Search for chemical match using the InChIKey FFEARJCKVFRZRR-BYPYZUCNSA-N
UniChem Connectivity Search for chemical match using the InChIKey FFEARJCKVFRZRR-BYPYZUCNSA-N

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MedChemExpress
L-Methionine (links to external site)
Cat. No. HY-N0326