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- ChemComp-MEQ: N5-METHYLGLUTAMINE -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: MEQ
NameName: N5-methylglutamine

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Chemical information

Composition
Formula: C6H12N2O3 / Number of atoms: 23 / Formula weight: 160.171 / Formal charge: 0
Others

1nv8

GLN

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: Q / Three letter code: MEQ / Model coordinates PDB-ID: 1NV8 / Parent comp.: GLN
History
Create componentFeb 14, 2003
Modify descriptorJun 4, 2011
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / Brenda / ChEBI / DrugBank / KEGG_Ligand / Nikkaji / PubChem / PubChem_TPharma / Rhea / 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(O)C(N)CCC(=O)NC
CACTVS 3.341CNC(=O)CC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CNC(=O)CCC(C(=O)O)N

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C6H12N2O3/c1-8-5(9)3-2-4(7)6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1

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InChIKey

InChI 1.03ONXPDKGXOOORHB-BYPYZUCNSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-methyl-L-glutamine
OpenEye OEToolkits 1.5.0(2S)-2-amino-5-methylamino-5-oxo-pentanoic acid

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PDB entries

Showing all 2 items

PDB-1nv8:
N5-glutamine methyltransferase, HemK

PDB-6khs:
Crystal structure of HEMK2/TRMT112 in complex with SAH and MEQ

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