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103 : Summary
Code ![](/pdbe/static/images/help.png)
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103
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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',5'-DIDEOXY-ADENOSINE 3'-MONOPHOSPHATE
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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 H14 N5 O5 P
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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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315.222 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 |
O=P(O)(O)OC3C(OC(n2cnc1c(ncnc12)N)C3)C |
SMILES
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CACTVS |
3.341 |
C[CH]1O[CH](C[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC1C(CC(O1)n2cnc3c2ncnc3N)OP(=O)(O)O |
Canonical SMILES
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CACTVS |
3.341 |
C[C@H]1O[C@H](C[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H14N5O5P/c1-5-6(20-21(16,17)18)2-7(19-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7H,2H2,1H3,(H2,11,12,13)(H2,16,17,18)/t5-,6+,7-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | NFGZMOICZSFFLB-DSYKOEDSSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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35 (21 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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1999-08-17
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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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