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RBZ : Summary
Code
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RBZ
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One-letter code
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X
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Molecule name
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ALPHA-RIBAZOLE-5'-PHOSPHATE
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Systematic names
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Formula
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C14 H19 N2 O7 P
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Formal charge
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0
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Molecular weight
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358.284 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=P(O)(O)OCC3OC(n2cnc1cc(c(cc12)C)C)C(O)C3O |
SMILES
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CACTVS |
3.341 |
Cc1cc2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c2cc1C |
SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O |
Canonical SMILES
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CACTVS |
3.341 |
Cc1cc2ncn([C@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O)c2cc1C |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O |
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IUPAC InChI | InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1 |
IUPAC InChI key | ZMRGXEJKZPRBPJ-SYQHCUMBSA-N |
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wwPDB Information |
Atom count
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43 (24 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2002-03-19
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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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