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NOS : Summary
Code
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NOS
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One-letter code
|
X
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Molecule name
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INOSINE
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Systematic names
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Formula
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C10 H12 N4 O5
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Formal charge
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0
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Molecular weight
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268.226 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)NC=Nc23 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1nc2c(n1C3C(C(C(O3)CO)O)O)N=CNC2=O |
Canonical SMILES
|
CACTVS |
3.385 |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3C(=O)NC=Nc23 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O |
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IUPAC InChI | InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1 |
IUPAC InChI key | UGQMRVRMYYASKQ-KQYNXXCUSA-N |
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wwPDB Information |
Atom count
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31 (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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1999-07-08
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Last modified at
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2018-09-13
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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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