C16 H20 O9
WM6
(4~{R},5~{S},6~{S})-4,5,6,15,17-pentakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(4~{R},5~{S},6~{S})-4,5,6,15,17-pentakis(oxidanyl)-2,12-diox...Show more
Formula
Standard InChI
InChI=1S/C16H20O9/c17-8-5-10(19)13-12(6-8)25-7-11(20)15(22)14(21)9(18)3-1-2-4-24-16(13)23/h5-6,11,14-15,17,19-22H,1-4,7H...Show more
Standard InChI Key
JTDNYLVWHABXBF-UGFHNGPFSA-N
SMILES
c1c(cc2c(c1O)C(=O)OCCCCC(=O)[C@H]([C@H]([C@@H](CO2)O)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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