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6MD : Summary
Code ![](/pdbe/static/images/help.png)
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6MD
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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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N-methyladenosine
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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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C11 H15 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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281.268 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 |
n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)NC |
SMILES
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CACTVS |
3.385 |
CNc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
CNc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)O)O |
Canonical SMILES
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CACTVS |
3.385 |
CNc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C11H15N5O4/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11,17-19H,2H2,1H3,(H,12,13,14)/t5-,7-,8-,11-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | VQAYFKKCNSOZKM-IOSLPCCCSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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35 (20 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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2013-07-17
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Last modified at ![](/pdbe/static/images/help.png)
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2013-11-01
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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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