tetrodotoxin

Ligand id: 2616

Name: tetrodotoxin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 8
Rotatable bonds 1
Topological polar surface area 190.25
Molecular weight 319.1
XLogP -3.58
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
International Nonproprietary Names
INN number INN
10243 tetrodotoxin
Synonyms
TTX
Database Links
CAS Registry No. 4368-28-9 (source: Scifinder)
ChEBI CHEBI:9506
PubChem CID 6324668
Search Google for chemical match using the InChIKey CFMYXEVWODSLAX-QYIGHCJRSA-N
Search Google for chemicals with the same backbone CFMYXEVWODSLAX
Search PubMed clinical trials tetrodotoxin
Search PubMed titles tetrodotoxin
Search PubMed titles/abstracts tetrodotoxin
Wikipedia Tetrodotoxin
Comments
Tetrodotoxin is a potent neurotoxin found in certain fish and other aquatic animals, although it is actually produced in symbiotic bacteria hosted in these creatures.
There is some ambiguity in the literature and on other databases as to the exact stereochemistry of tetrodotoxin. Our structure matches that on ChEBI and the PubChem entry linked to above, while the compound is also represented by the alternative isomer in CHEMBL507974 and CID 11174599.