ChemComp-MT2: [(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfonium

Basic information

• Entry: Database: PDB chemical components / ID: MT2
• Name: Name: [(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfonium / Synonyms: S-ethyl-L-Methionine

Chemical information

Composition

Formula: C₇H₁₆NO₂S / Number of atoms: 27 / Formula weight: 178.272 / Formal charge: 1

Others

3c8f

MET

Type: L-peptide linking / PDB classification: ATOMP / One letter code: M / Three letter code: MT2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3C8F / Parent comp.: MET

History

Create component	Feb 18, 2008
Modify descriptor	Jun 4, 2011
Modify atom id	May 5, 2014
Modify atom id	Oct 21, 2014
Modify synonyms	Jun 5, 2020
Modify backbone	Nov 3, 2023

• External links: UniChem / ChemSpider / Wikipedia search / Google search

Details

SMILES

• ACDLabs 10.04: O=C(O)C(N)CC[S+](C)CC
• CACTVS 3.341: CC[S+](C)CC[CH](N)C(O)=O
• OpenEye OEToolkits 1.5.0: CC[S+](C)CCC(C(=O)O)N

SMILES CANONICAL

• CACTVS 3.341: CC[S@@+](C)CC[C@H](N)C(O)=O
• OpenEye OEToolkits 1.5.0: CC[S@@+](C)CC[C@@H](C(=O)O)N

InChI

• InChI 1.03: InChI=1S/C7H15NO2S/c1-3-11(2)5-4-6(8)7(9)10/h6H,3-5,8H2,1-2H3/p+1/t6-,11+/m0/s1

InChIKey

• InChI 1.03: CHUUUZMZGJUUGS-UPONEAKYSA-O

SYSTEMATIC NAME

• ACDLabs 10.04: [(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfonium
• OpenEye OEToolkits 1.5.0: [(3S)-3-amino-4-hydroxy-4-oxo-butyl]-ethyl-methyl-sulfanium

PDB entries

Showing all 1 items

PDB-3c8f:
4Fe-4S-Pyruvate formate-lyase Activating Enzyme with partially disordered AdoMet