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- ChemComp-CMT: O-METHYLCYSTEINE -

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Basic information

EntryDatabase: PDB chemical components / ID: CMT
NameName: O-methylcysteine

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Chemical information

Composition
Formula: C4H9NO2S / Number of atoms: 17 / Formula weight: 135.185 / Formal charge: 0
Others

1doa

CYS

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: C / Three letter code: CMT / Model coordinates PDB-ID: 1DOA / Parent comp.: CYS
History
Create componentJan 19, 2000
Modify descriptorJun 4, 2011
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 10.04O=C(OC)C(N)CS
CACTVS 3.341COC(=O)[CH](N)CS
OpenEye OEToolkits 1.5.0COC(=O)C(CS)N

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SMILES CANONICAL

CACTVS 3.341COC(=O)[C@@H](N)CS
OpenEye OEToolkits 1.5.0COC(=O)[C@H](CS)N

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InChI

InChI 1.03InChI=1S/C4H9NO2S/c1-7-4(6)3(5)2-8/h3,8H,2,5H2,1H3/t3-/m0/s1

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InChIKey

InChI 1.03MCYHPZGUONZRGO-VKHMYHEASA-N

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SYSTEMATIC NAME

ACDLabs 10.04methyl L-cysteinate
OpenEye OEToolkits 1.5.0methyl (2R)-2-amino-3-sulfanyl-propanoate

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PDB entries

Showing all 3 items

PDB-5ukm:
bovine GRK2 in complex with human Gbetagamma subunits and CCG258208 (14as)

PDB-7q9q:
Crystal structure of PDE6D Geranylgeranylated cystein complex

PDB-7qf9:
Crystal structure of PDE6D bound to HRas peptide

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