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- ChemComp-2FM: S-(DIFLUOROMETHYL)HOMOCYSTEINE -

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Basic information

EntryDatabase: PDB chemical components / ID: 2FM
NameName: S-(difluoromethyl)homocysteine / Synonyms: DIFLUOROMETHIONINE

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Chemical information

Composition
Formula: C5H9F2NO2S / Number of atoms: 20 / Formula weight: 185.192 / Formal charge: 0
Others

1pfv

MET

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: M / Three letter code: 2FM / Model coordinates PDB-ID: 1PFV / Parent comp.: MET
History
Create componentMay 28, 2003
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04FC(F)SCCC(C(=O)O)N
CACTVS 3.341N[CH](CCSC(F)F)C(O)=O
OpenEye OEToolkits 1.5.0C(CSC(F)F)C(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.341N[C@@H](CCSC(F)F)C(O)=O
OpenEye OEToolkits 1.5.0C(CSC(F)F)[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C5H9F2NO2S/c6-5(7)11-2-1-3(8)4(9)10/h3,5H,1-2,8H2,(H,9,10)/t3-/m0/s1

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InChIKey

InChI 1.03YHBNXKYHZMAFED-VKHMYHEASA-N

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SYSTEMATIC NAME

ACDLabs 10.04difluoro-L-methionine
OpenEye OEToolkits 1.5.0(2S)-2-amino-4-(difluoromethylsulfanyl)butanoic acid

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PDB entries

Showing all 1 items

PDB-1pfv:
METHIONYL-TRNA SYNTHETASE FROM ESCHERICHIA COLI COMPLEXED WITH DIFLUOROMETHIONINE

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