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tetrodotoxin

Go to external page http://purl.obolibrary.org/obo/CHEBI_9506

A quinazoline alkaloid that is a marine toxin isolated from fish such as puffer fish. It has been shown to exhibit potential neutotoxicity due to its ability to block voltage-gated sodium channels.

Term info

Label

tetrodotoxin

Synonyms
  • (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
  • Tetrodotoxin
database cross reference
Subsets

3_STAR

IUPAC NAME
(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 [ IUPAC ]

charge

0

formula

C11H17N3O8

has obo namespace

chebi_ontology

has related synonym

tetrodontoxin, 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, TTX, fugu poison, tarichatoxin, maculotoxin

id

CHEBI:9506

inchi

InChI=1S/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

inchikey

CFMYXEVWODSLAX-QYIGHCJRSA-N

mass

319.26800

monoisotopicmass

319.10156

smiles

OC[C@@]1(O)[C@H]2O[C@@]3(O)O[C@@H]1[C@@H]1[C@@H](O)NC(=N)N[C@]1([C@H]2O)[C@@H]3O