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GDR : Summary
Code
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GDR
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One-letter code
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G
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Molecule name
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GUANOSINE-5'-DIPHOSPHATE-RHAMNOSE
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Systematic names
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Formula
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C16 H25 N5 O15 P2
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Formal charge
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0
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Molecular weight
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589.342 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=P(OC1OC(C(O)C(O)C1O)C)(O)OP(=O)(O)OCC4OC(n2c3N=C(N)NC(=O)c3nc2)C(O)C4O |
SMILES
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CACTVS |
3.341 |
C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N)[CH](O)[CH](O)[CH]1O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O |
Canonical SMILES
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CACTVS |
3.341 |
C[C@H]1O[C@H](O[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4C(=O)NC(=Nc34)N)[C@@H](O)[C@@H](O)[C@@H]1O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O |
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IUPAC InChI | InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5-,7-,8-,9+,10-,11+,14-,15-/m1/s1 |
IUPAC InChI key | LQEBEXMHBLQMDB-GDJBGNAASA-N |
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wwPDB Information |
Atom count
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63 (38 without Hydrogen)
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Polymer type
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Deoxy 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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DG
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Defined at
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2002-11-21
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Last modified at
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2011-06-04
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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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