C68 H98 Co N14 O15 P
A1DMU
ethynyl-N-cyclopropylpropiolamide-cobalamin
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
ethynyl-N-cyclopropylpropiolamide-cobalamin
Formula
Standard InChI
InChI=1S/C62H92N13O14P.C6H6NO.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26...Show more
Standard InChI Key
HWYUVNTXIQIAAA-NFWUFMPNSA-N
SMILES
Cc1cc2c(cc1C)N3C=[N]2[Co]456([N@@]7C8C=C9N4C(=C([C@@H]1N5[C@...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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