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RAB : Summary
Code
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RAB
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One-letter code
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X
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Molecule name
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2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL
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Synonyms
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9-BETA-D-ARABINOFURANOSYL-ADENINE
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Systematic names
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Formula
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C10 H13 N5 O4
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Formal charge
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0
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Molecular weight
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267.241 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)CO)N |
SMILES
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CACTVS |
3.341 |
Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N |
Canonical SMILES
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CACTVS |
3.341 |
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N |
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IUPAC InChI | InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1 |
IUPAC InChI key | OIRDTQYFTABQOQ-UHTZMRCNSA-N |
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wwPDB Information |
Atom count
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32 (19 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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2003-07-09
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Last modified at
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2021-03-01
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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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