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R1Y : Summary
Code ![](/pdbe/static/images/help.png)
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R1Y
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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1-beta-D-ribofuranosyl-1H-1,2,4-triazole-3-carboximidamide
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C8 H13 N5 O4
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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243.22 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
N=C(N)c1ncn(n1)C1OC(CO)C(O)C1O |
SMILES
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CACTVS |
3.385 |
NC(=N)c1ncn(n1)[CH]2O[CH](CO)[CH](O)[CH]2O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1nc(nn1C2C(C(C(O2)CO)O)O)C(=N)N |
Canonical SMILES
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CACTVS |
3.385 |
NC(=N)c1ncn(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
[H]/N=C(\c1ncn(n1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)/N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C8H13N5O4/c9-6(10)7-11-2-13(12-7)8-5(16)4(15)3(1-14)17-8/h2-5,8,14-16H,1H2,(H3,9,10)/t3-,4-,5-,8-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | NHKZSTHOYNWEEZ-AFCXAGJDSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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30 (17 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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non-polymer
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2022-06-15
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Last modified at ![](/pdbe/static/images/help.png)
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2022-09-02
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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