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- ChemComp-M7M: N,N,7-trimethylguanosine 5'-(trihydrogen diphosphate) -

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Basic information

EntryDatabase: PDB chemical components / ID: M7M
NameName: N,N,7-trimethylguanosine 5'-(trihydrogen diphosphate)

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Chemical information

Composition
Formula: C13H23N5O11P2 / Number of atoms: 54 / Formula weight: 487.296 / Formal charge: 0
Others

3m94

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: M7M / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3M94
History
Create componentApr 5, 2010
Modify descriptorJun 4, 2011
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 12.01O=P(O)(O)OP(=O)(O)OCC3OC(N1C2=C(N(C1)C)C(=O)N=C(N(C)C)N2)C(O)C3O
CACTVS 3.370CN(C)C1=NC(=O)C2=C(N1)N(CN2C)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.0CN1CN(C2=C1C(=O)N=C(N2)N(C)C)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O

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SMILES CANONICAL

CACTVS 3.370CN(C)C1=NC(=O)C2=C(N1)N(CN2C)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.0CN1CN(C2=C1C(=O)N=C(N2)N(C)C)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)O

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InChI

InChI 1.03InChI=1S/C13H23N5O11P2/c1-16(2)13-14-10-7(11(21)15-13)17(3)5-18(10)12-9(20)8(19)6(28-12)4-27-31(25,26)29-30(22,23)24/h6,8-9,12,19-20H,4-5H2,1-3H3,(H,25,26)(H,14,15,21)(H2,22,23,24)/t6-,8-,9-,12-/m1/s1

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InChIKey

InChI 1.03DHQQIEJARUGVNZ-WOUKDFQISA-N

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SYSTEMATIC NAME

ACDLabs 12.01N,N,7-trimethylguanosine 5'-(trihydrogen diphosphate)
OpenEye OEToolkits 1.7.0[(2R,3S,4R,5R)-5-[2-(dimethylamino)-7-methyl-6-oxo-3,8-dihydropurin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate

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PDB entries

Showing all 5 items

PDB-3jcm:
Cryo-EM structure of the spliceosomal U4/U6.U5 tri-snRNP

PDB-3m94:
Complex crystal structure of Ascaris suum eIF4E-3 with m2,2,7G cap

PDB-9l5r:
Cryo-EM structure of the thermophile spliceosome (state ILS)

PDB-9l5s:
Cryo-EM structure of the thermophile spliceosome (state B*Q1)

PDB-9l5t:
Cryo-EM structure of the thermophile spliceosome (state B*Q2)

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