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BGH : Summary
Code
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BGH
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One-letter code
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G
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Molecule name
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[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-ethanoyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
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Systematic names
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Formula
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C13 H20 N5 O9 P
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Formal charge
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0
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Molecular weight
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421.3 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2CN(C(C)=O)C3=C2N=C(N)NC3=O |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CC(=O)N1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)O)O)OC |
Canonical SMILES
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CACTVS |
3.385 |
CO[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]1N2CN(C(C)=O)C3=C2N=C(N)NC3=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
CC(=O)N1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OC |
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IUPAC InChI | InChI=1S/C13H20N5O9P/c1-5(19)17-4-18(10-7(17)11(21)16-13(14)15-10)12-9(25-2)8(20)6(27-12)3-26-28(22,23)24/h6,8-9,12,20H,3-4H2,1-2H3,(H2,22,23,24)(H3,14,15,16,21)/t6-,8-,9-,12-/m1/s1 |
IUPAC InChI key | RRIGHVHFMJOEOI-WOUKDFQISA-N |
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wwPDB Information |
Atom count
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48 (28 without Hydrogen)
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Polymer type
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Ribonucleotide
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Type description
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RNA LINKING
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Type code
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ATOMN
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Is modified
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Yes
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Standard parent
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G
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Defined at
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2017-10-04
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Last modified at
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2018-10-20
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Status
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Released
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Obsoleted
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Not Assigned
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