C8 H13 N O9 P2
HDX
({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2H)-yl}methyl)phosphonic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2H)-yl}...Show more
Formula
Standard InChI
InChI=1S/C8H13NO9P2/c10-7-6(2-4-18-20(15,16)17)1-3-9(8(7)11)5-19(12,13)14/h1,3,10H,2,4-5H2,(H2,12,13,14)(H2,15,16,17)
Standard InChI Key
RMAJJEZWSTVCSS-UHFFFAOYSA-N
SMILES
C1=CN(C(=O)C(=C1CCOP(=O)(O)O)O)CP(=O)(O)O
Source OpenEye
First observed in
Overall view, and highlighted
scaffolds and fragments ![help icon]()
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
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