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ZOL : Summary
Code
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ZOL
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One-letter code
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X
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Molecule name
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ZOLEDRONIC ACID
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Synonyms
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(1-HYDROXY-2-IMIDAZOL-1-YLETHYLIDENE)DIPHOSPHONIC ACID
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Systematic names
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Formula
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C5 H10 N2 O7 P2
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Formal charge
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0
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Molecular weight
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272.09 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O |
SMILES
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CACTVS |
3.341 |
OC(Cn1ccnc1)([P](O)(O)=O)[P](O)(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O |
Canonical SMILES
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CACTVS |
3.341 |
OC(Cn1ccnc1)([P](O)(O)=O)[P](O)(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O |
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IUPAC InChI | InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14) |
IUPAC InChI key | XRASPMIURGNCCH-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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26 (16 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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2005-06-06
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Last modified at
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2021-03-01
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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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