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- ChemComp-7MG: 7N-METHYL-8-HYDROGUANOSINE-5'-MONOPHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: 7MG
NameName: 7N-methyl-8-hydroguanosine-5'-monophosphate

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Chemical information

Composition
Formula: C11H18N5O8P / Number of atoms: 43 / Formula weight: 379.263 / Formal charge: 0
Others

1evv

G

Type: RNA LINKING / PDB classification: ATOMN / One letter code: G / Three letter code: 7MG / Model coordinates PDB-ID: 1EVV / Parent comp.: G
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / DrugBank / Nikkaji / PubChem / 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=C1C=2N(CN(C=2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O)C
CACTVS 3.341CN1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)N
OpenEye OEToolkits 1.5.0CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)O)O)O

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SMILES CANONICAL

CACTVS 3.341CN1CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C3=C1C(=O)NC(=N3)N
OpenEye OEToolkits 1.5.0CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

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InChI

InChI 1.03InChI=1S/C11H18N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1

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InChIKey

InChI 1.03ZMWJGXGSWZFZPJ-KQYNXXCUSA-N

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SYSTEMATIC NAME

ACDLabs 10.047-methylguanosine 5'-(dihydrogen phosphate)
OpenEye OEToolkits 1.5.0[(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1,8-dihydropurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate

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PDB entries

Showing all 4 items

PDB-1h2t:
Structure of the human nuclear cap-binding-complex (CBC) in complex with a cap analogue m7GpppG

PDB-1h2u:
Structure of the human nuclear cap-binding-complex (CBC) in complex with a cap analogue m7GpppG

PDB-2rok:
Solution structure of the cap-binding domain of PARN complexed with the cap analog

PDB-3d45:
Crystal structure of mouse PARN in complex with m7GpppG

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