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3L1 : Summary
Code
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3L1
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One-letter code
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X
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Molecule name
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(2S,3R,5S)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol
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Systematic names
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Formula
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C10 H13 N5 O3
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Formal charge
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0
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Molecular weight
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251.242 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)C3)CO)N |
SMILES
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CACTVS |
3.341 |
Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO)O3 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1nc(c2c(n1)n(cn2)C3CC(C(O3)CO)O)N |
Canonical SMILES
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CACTVS |
3.341 |
Nc1ncnc2n(cnc12)[C@@H]3C[C@@H](O)[C@H](CO)O3 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@@H](O3)CO)O)N |
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IUPAC InChI | InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m1/s1 |
IUPAC InChI key | OLXZPDWKRNYJJZ-VQVTYTSYSA-N |
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wwPDB Information |
Atom count
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31 (18 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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2008-02-18
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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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