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- ChemComp-6G0: 5'-O-[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphor... -

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Basic information

EntryDatabase: PDB chemical components / ID: 6G0
NameName: 5'-O-[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]-7-methylguanosine

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Chemical information

Composition
Formula: C11H20N5O17P4 / Number of atoms: 57 / Formula weight: 618.195 / Formal charge: 1
Others

5j5o

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6G0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5J5O
History
Create componentApr 4, 2016
Initial releaseMay 10, 2017
External linksUniChem / ChemSpider / PubChem / 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 12.01C2(=Nc1n(c[n+](c1C(N2)=O)C)C3OC(COP(OP(OP(OP(=O)(O)O)(=O)O)(=O)O)(O)=O)C(C3O)O)N
CACTVS 3.385C[n+]1cn([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)c3N=C(N)NC(=O)c13
OpenEye OEToolkits 2.0.4C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

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SMILES CANONICAL

CACTVS 3.385C[n+]1cn([C@@H]2O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O)c3N=C(N)NC(=O)c13
OpenEye OEToolkits 2.0.4C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

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InChI

InChI 1.03InChI=1S/C11H19N5O17P4/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(30-10)2-29-35(23,24)32-37(27,28)33-36(25,26)31-34(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H7-,12,13,14,19,20,21,22,23,24,25,26,27,28)/p+1/t4-,6-,7-,10-/m1/s1

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InChIKey

InChI 1.03ICYVMAXYRWTAKS-KQYNXXCUSA-O

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SYSTEMATIC NAME

ACDLabs 12.015'-O-[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]-7-methylguanosine
OpenEye OEToolkits 2.0.4[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate

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PDB entries

Showing all 1 items

PDB-5j5o:
Translation initiation factor 4E in complex with m7GppppG mRNA 5' cap analog

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