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CDY : Summary
Code ![](/pdbe/static/images/help.png)
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CDY
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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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2-CHLORODIDEOXYADENOSINE
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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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C10 H12 Cl N5 O2
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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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269.688 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 |
10.04 |
Clc1nc(c2ncn(c2n1)C3OC(CC3)CO)N |
SMILES
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CACTVS |
3.341 |
Nc1nc(Cl)nc2n(cnc12)[CH]3CC[CH](CO)O3 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1nc2c(nc(nc2n1C3CCC(O3)CO)Cl)N |
Canonical SMILES
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CACTVS |
3.341 |
Nc1nc(Cl)nc2n(cnc12)[C@H]3CC[C@@H](CO)O3 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1nc2c(nc(nc2n1[C@H]3CC[C@H](O3)CO)Cl)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H12ClN5O2/c11-10-14-8(12)7-9(15-10)16(4-13-7)6-2-1-5(3-17)18-6/h4-6,17H,1-3H2,(H2,12,14,15)/t5-,6+/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | FNLILOONPKMGST-NTSWFWBYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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30 (18 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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2003-09-11
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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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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