Identification Common Name CTX 3C Class Small Molecule Description The ciguatoxin CTX 3C is a highly lipophilic cyclic polyether ladder-shaped compound characterized by 13 ether rings, found in the dinoflagellate Gambierdiscus toxicus. It has been reported to activate voltage-gated sodium channels (
1 ).
Read more Contaminant Sources Contaminant Type Animal Toxin
Ether
Marine Toxin
Natural Compound
Organic Compound
PFAS Chemical Structure Synonyms Value Source Ciguatoxin CTX 3C Kegg Ciguatoxin 3C Kegg Ciguatoxin CTX3c MeSH
Chemical Formula C57 H82 O16 Average Molecular Mass 1023.251 g/mol Monoisotopic Mass 1022.560 g/mol CAS Registry Number 148471-85-6 IUPAC Name (1R,3S,4Z,7R,9S,11R,13S,19R,20R,21S,23R,26S,28R,30E,33S,35R,37S,39R,41S,43R,44S,45S,46R,48S,49S,50S,51R,53S,55R,57R,59S,60S)-44,45,50,55,59-pentamethyl-2,8,12,18,22,27,34,38,42,47,52,58-dodecaoxaspiro[dodecacyclo[31.28.0.0³,²⁸.0⁷,²⁶.0⁹,²³.0¹¹,²¹.0¹³,¹⁹.0³⁵,⁵⁹.0³⁷,⁵⁷.0³⁹,⁵³.0⁴¹,⁵¹.0⁴³,⁴⁸]henhexacontane-46,2'-oxolane]-4,15,24,30-tetraene-20,49,60-triol Traditional Name (1R,3S,4Z,7R,9S,11R,13S,19R,20R,21S,23R,26S,28R,30E,33S,35R,37S,39R,41S,43R,44S,45S,46R,48S,49S,50S,51R,53S,55R,57R,59S,60S)-44,45,50,55,59-pentamethyl-2,8,12,18,22,27,34,38,42,47,52,58-dodecaoxaspiro[dodecacyclo[31.28.0.0³,²⁸.0⁷,²⁶.0⁹,²³.0¹¹,²¹.0¹³,¹⁹.0³⁵,⁵⁹.0³⁷,⁵⁷.0³⁹,⁵³.0⁴¹,⁵¹.0⁴³,⁴⁸]henhexacontane-46,2'-oxolane]-4,15,24,30-tetraene-20,49,60-triol SMILES [H]\C1=C([H])\[C@]2([H])O[C@]3([H])C[C@]([H])(O)[C@]4(C)O[C@]5([H])C[C@]([H])(C)C[C@]6([H])O[C@@]7([H])[C@]([H])(C[C@@]6([H])O[C@@]5([H])C[C@@]4([H])O[C@@]3([H])C\C([H])=C([H])\C[C@@]2([H])O[C@@]2([H])C=C[C@@]3([H])O[C@]4([H])[C@@]([H])(C[C@]3([H])O[C@]2([H])C1)O[C@@]1([H])CC=CCO[C@]1([H])[C@@]4([H])O)O[C@]1([H])[C@@]([H])(C)[C@]([H])(C)[C@@]2(CCCO2)O[C@@]1([H])[C@@]([H])(O)[C@]7([H])C InChI Identifier InChI=1S/C57H82O16/c1-28-22-39-41(25-45-51(70-39)30(3)49(59)55-52(71-45)29(2)31(4)57(73-55)19-11-21-62-57)67-43-27-48-56(5,72-44(43)23-28)47(58)26-42-35(68-48)13-7-6-12-32-33(65-42)15-10-16-34-36(63-32)17-18-37-40(64-34)24-46-54(69-37)50(60)53-38(66-46)14-8-9-20-61-53/h6-10,15,17-18,28-55,58-60H,11-14,16,19-27H2,1-5H3/b7-6+,15-10-/t28-,29+,30+,31+,32-,33+,34-,35+,36+,37-,38+,39+,40+,41-,42-,43+,44-,45+,46-,47+,48-,49+,50-,51-,52-,53+,54-,55+,56+,57-/m1/s1 InChI Key BFXGFCYTZARNGN-XHDDPMCTSA-N 
