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WG7 : Summary
Code ![](/pdbe/static/images/help.png)
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WG7
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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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(3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl)phosphonic acid
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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 H15 N4 O4 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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286.224 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 |
C(CCNCc2cnc1C(NC=Nc12)=O)P(O)(O)=O |
SMILES
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CACTVS |
3.385 |
O[P](O)(=O)CCCNCc1c[nH]c2C(=O)NC=Nc12 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1c(c2c([nH]1)C(=O)NC=N2)CNCCCP(=O)(O)O |
Canonical SMILES
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CACTVS |
3.385 |
O[P](O)(=O)CCCNCc1c[nH]c2C(=O)NC=Nc12 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1c(c2c([nH]1)C(=O)NC=N2)CNCCCP(=O)(O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H15N4O4P/c15-10-9-8(13-6-14-10)7(5-12-9)4-11-2-1-3-19(16,17)18/h5-6,11-12H,1-4H2,(H,13,14,15)(H2,16,17,18) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | BYPYXSLOGVUHEY-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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34 (19 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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2020-10-29
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Last modified at ![](/pdbe/static/images/help.png)
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2021-04-30
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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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