TETRODOTOXIN

Tetrodotoxin An aminoperhydroquinazoline poison found mainly in the liver and ovaries of fishes in the order TETRAODONTIFORMES, which are eaten. The toxin causes paresthesia and paralysis through interference with neuromuscular conduction.

Molecular Formula: C₁₁H₁₇N₃O₈

InChI: InChI=1/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3?,4-,5-,6-,7+,9+,10-,11+/m1/s1/f/h14H,12H2

InChIKey: InChIKey=CFMYXEVWODSLAX-LTZVQBQNDK
SMILES: C(C1(C2C3C(N=C(NC34C(C1OC(C4O)(O2)O)O)N)O)O)O

Names:
    CHEBI:9506
    Fugu poison
    Maculotoxin
    octahydro-12-(hydroxymethyl)-2-imino-5,9:7,10a-dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol
    Spheroidine
    Tarichatoxin
    Tetrodontoxin
    TETRODOTOXIN
    (1R,5R,6R,7R,9S,11R,12R,13S,14S)-14-(hydroxymethyl)-3-imino-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1(7,11).0(1,6)]tetradecane-5,9,12,13,14-pentol
    4368-28-9

Registries:
    PubChem CID 5460547
    PubChem ID 8146412