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A5L : Summary
Code 
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A5L
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One-letter code
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A
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Molecule name
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9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-9H-purin-6-amine
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Synonyms
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2'-DEOXY-2'-FLUORO-ARABINO-FURANOSYL ADENINE-5'-PHOSPHATE
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Systematic names
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Formula
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C10 H13 F N5 O6 P
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Formal charge
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0
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Molecular weight
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349.212 Da
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SMILES
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| Type | Program | Version | Descriptor |
|---|
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SMILES
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ACDLabs |
11.02 |
O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(F)C3O |
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SMILES
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CACTVS |
3.352 |
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3F |
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SMILES
|
OpenEye OEToolkits |
1.7.0 |
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)F)N |
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Canonical SMILES
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CACTVS |
3.352 |
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]3F |
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Canonical SMILES
|
OpenEye OEToolkits |
1.7.0 |
c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N |
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IUPAC InChI | InChI=1S/C10H13FN5O6P/c11-5-7(17)4(1-21-23(18,19)20)22-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1H2,(H2,12,13,14)(H2,18,19,20)/t4-,5+,7-,10-/m1/s1 |
IUPAC InChI key | WMEBOUQKZKATDW-GQTRHBFLSA-N |
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wwPDB Information |
Atom count
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36 (23 without Hydrogen)
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Polymer type
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Deoxy ribonucleotide
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Type description
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DNA 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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DA
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Defined at
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2009-10-21
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Last modified at
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2020-06-17
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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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Protein Data Bank 
