C29 H39 N8 O17 P3 S
WC8
2-CN-benzoyl coenzyme A
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
S-[2-[3-[[(2R)-4-[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-ox...Show more
Formula
Standard InChI
InChI=1S/C29H39N8O17P3S/c1-29(2,23(40)26(41)33-8-7-19(38)32-9-10-58-28(42)17-6-4-3-5-16(17)11-30)13-51-57(48,49)54-56(46...Show more
Standard InChI Key
MIPLNNKTEVNXDG-LRGQMUBBSA-N
SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H]([C@H]([C@@H](O1)n2c...Show more
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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