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39L : Summary
Code
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39L
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One-letter code
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X
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Molecule name
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[1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
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Systematic names
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Formula
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C9 H11 F N2 O6 P2
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Formal charge
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0
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Molecular weight
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324.139 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=P(O)(O)C(F)(P(=O)(O)O)Cc1cnc2ccccn12 |
SMILES
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CACTVS |
3.385 |
O[P](O)(=O)C(F)(Cc1cnc2ccccn12)[P](O)(O)=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
c1ccn2c(c1)ncc2CC(F)(P(=O)(O)O)P(=O)(O)O |
Canonical SMILES
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CACTVS |
3.385 |
O[P](O)(=O)C(F)(Cc1cnc2ccccn12)[P](O)(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
c1ccn2c(c1)ncc2CC(F)(P(=O)(O)O)P(=O)(O)O |
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IUPAC InChI | InChI=1S/C9H11FN2O6P2/c10-9(19(13,14)15,20(16,17)18)5-7-6-11-8-3-1-2-4-12(7)8/h1-4,6H,5H2,(H2,13,14,15)(H2,16,17,18) |
IUPAC InChI key | MGBVLKIPHVCMLV-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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31 (20 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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2014-07-10
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Last modified at
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2015-06-19
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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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