C20 H39 N O2 S
THT
TRANS-2-HEXADECENOYL-(N-ACETYL-CYSTEAMINE)-THIOESTER
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
C16-FATTY-ACYL-SUBSTRATE-MIMIC, S-palmitoyl-N-acetylcysteami...Show more
Formula
Standard InChI
InChI=1S/C20H39NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-17-21-19(2)22/h3-18H2,1-2H3,(H,21,22)
Standard InChI Key
GDVZALUOXPTSHD-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCC(=O)SCCNC(=O)C
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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