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- ChemComp-AME: N-ACETYLMETHIONINE -

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Basic information

EntryDatabase: PDB chemical components / ID: AME
NameName: N-acetylmethionine

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Chemical information

Composition
Formula: C7H13NO3S / Number of atoms: 25 / Formula weight: 191.248 / Formal charge: 0
Others

1sja

MET

Type: L-peptide NH3 amino terminus / PDB classification: HETAIN / One letter code: M / Three letter code: AME / Model coordinates PDB-ID: 1SJA / Parent comp.: MET
History
Create componentMay 11, 2000
Modify descriptorJun 4, 2011
Modify linking typeJul 15, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / ChemicalBook / CompTox / DrugBank / HMDB / NMRShiftDB / 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(NC(C(=O)O)CCSC)C
CACTVS 3.341CSCC[CH](NC(C)=O)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)NC(CCSC)C(=O)O

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SMILES CANONICAL

CACTVS 3.341CSCC[C@H](NC(C)=O)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H](CCSC)C(=O)O

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InChI

InChI 1.03InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1

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InChIKey

InChI 1.03XUYPXLNMDZIRQH-LURJTMIESA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-acetyl-L-methionine
OpenEye OEToolkits 1.5.0(2S)-2-acetamido-4-methylsulfanyl-butanoic acid

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