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210 : Summary
Code
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210
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One-letter code
|
X
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Molecule name
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PAMIDRONATE
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Synonyms
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(3-AMINO-1-HYDROXY-1-PHOSPHONO-PROPYL)PHOSPHONIC ACID
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Systematic names
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Formula
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C3 H11 N O7 P2
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Formal charge
|
0
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Molecular weight
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235.069 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=P(O)(O)C(O)(CCN)P(=O)(O)O |
SMILES
|
CACTVS |
3.341 |
NCCC(O)([P](O)(O)=O)[P](O)(O)=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C(CN)C(O)(P(=O)(O)O)P(=O)(O)O |
Canonical SMILES
|
CACTVS |
3.341 |
NCCC(O)([P](O)(O)=O)[P](O)(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C(CN)C(O)(P(=O)(O)O)P(=O)(O)O |
|
IUPAC InChI | InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11) |
IUPAC InChI key | WRUUGTRCQOWXEG-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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24 (13 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2006-01-11
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Last modified at
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2020-06-17
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Status
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Released
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Obsoleted
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Not Assigned
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|