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M1G : Summary
Code ![](/pdbe/static/images/help.png)
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M1G
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One-letter code ![](/pdbe/static/images/help.png)
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G
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Molecule name ![](/pdbe/static/images/help.png)
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3-(2-DEOXY-BETA-D-RIBOFURANOSYL)-PYRIDO[5,6-A]-PURINE-10-ONE-5'-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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C13 H14 N5 O7 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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383.253 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=C2c3ncn(c3N=C1N=CC=CN12)C4OC(C(O)C4)COP(=O)(O)O |
SMILES
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CACTVS |
3.341 |
O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)N4C=CC=NC4=Nc23 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C4N=CC=CN4C2=O |
Canonical SMILES
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CACTVS |
3.341 |
O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3C(=O)N4C=CC=NC4=Nc23 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4N=CC=CN4C2=O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C13H14N5O7P/c19-7-4-9(25-8(7)5-24-26(21,22)23)18-6-15-10-11(18)16-13-14-2-1-3-17(13)12(10)20/h1-3,6-9,19H,4-5H2,(H2,21,22,23)/t7-,8+,9+/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | VHESJINRMVWRRK-DJLDLDEBSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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40 (26 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Deoxy ribonucleotide
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Type description ![](/pdbe/static/images/help.png)
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DNA LINKING
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Type code ![](/pdbe/static/images/help.png)
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ATOMN
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Is modified ![](/pdbe/static/images/help.png)
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Yes
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Standard parent ![](/pdbe/static/images/help.png)
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DG
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Defined at ![](/pdbe/static/images/help.png)
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2001-10-09
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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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