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TAL : Summary
Code
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TAL
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One-letter code
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N
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Molecule name
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9-(6-DEOXY-ALPHA-L-TALOFURANOSYL)-6-METHYLPURINE
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Systematic names
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Formula
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C12 H16 N4 O4
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Formal charge
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0
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Molecular weight
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280.28 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
n2c1c(ncnc1n(c2)C3OC(C(O)C3O)C(O)C)C |
SMILES
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CACTVS |
3.341 |
C[CH](O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(C)ncnc23 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1c2c(ncn1)n(cn2)C3C(C(C(O3)C(C)O)O)O |
Canonical SMILES
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CACTVS |
3.341 |
C[C@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(C)ncnc23 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)[C@H](C)O)O)O |
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IUPAC InChI | InChI=1S/C12H16N4O4/c1-5-7-11(14-3-13-5)16(4-15-7)12-9(19)8(18)10(20-12)6(2)17/h3-4,6,8-10,12,17-19H,1-2H3/t6-,8-,9+,10+,12+/m0/s1 |
IUPAC InChI key | XJZDIUOABWMPLZ-DSBXBFMBSA-N |
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wwPDB Information |
Atom count
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36 (20 without Hydrogen)
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Polymer type
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Bound ligand
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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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Not Assigned
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Defined at
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2003-04-03
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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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