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911 : Summary
Code ![](/pdbe/static/images/help.png)
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911
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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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(1-hydroxyethane-1,1-diyl)bis(phosphonic acid)
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Synonyms ![](/pdbe/static/images/help.png)
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Etidronic 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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C2 H8 O7 P2
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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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206.028 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 |
O=P(O)(O)C(O)(C)P(=O)(O)O |
SMILES
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CACTVS |
3.370 |
CC(O)([P](O)(O)=O)[P](O)(O)=O |
SMILES
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OpenEye OEToolkits |
1.7.2 |
CC(O)(P(=O)(O)O)P(=O)(O)O |
Canonical SMILES
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CACTVS |
3.370 |
CC(O)([P](O)(O)=O)[P](O)(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.2 |
CC(O)(P(=O)(O)O)P(=O)(O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | DBVJJBKOTRCVKF-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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19 (11 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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2011-06-10
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Last modified at ![](/pdbe/static/images/help.png)
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2020-06-17
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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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