1.0 2010-04-08 22:14:18 UTC 2025-11-19 02:19:18 UTC FDB019372 Pacific Ciguatoxin 1 Pacific Ciguatoxin 1 is isolated from the moray eel (Gymnothorax javanicus) and other fish and shellfish especially coral reef spp. It is found in the dinoflagellate Gambierdiscus toxicus. Causes ciguatera food poisoning. G. toxicus is the primary cause. Ciguatoxin Ciguatoxin 1 Ciguatoxin CTX 1 CTX 1 P-CTX 1 P-CTX 1B P-CTX-1 Pacific Ciguatoxin 1 Pacific ciguatoxin-1 C60H86O19 1111.3134 1110.57633057 (1R,3S,4'S,6R,8S,10R,12S,16R,18R,19R,20S,22R,25S,27R,29Z,32S,34R,36S,38R,40S,42R,43S,44S,45R,47S,48S,49S,50R,52S,54R,56R,58S,59R)-16-[(1E,3S)-3,4-dihydroxybut-1-en-1-yl]-43,44,49,54,58-pentamethyl-2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxaspiro[dodecacyclo[30.28.0.0^{3,27}.0^{6,25}.0^{8,22}.0^{10,20}.0^{12,18}.0^{34,58}.0^{36,56}.0^{38,52}.0^{40,50}.0^{42,47}]hexacontane-45,2'-oxolane]-4,14,23,29-tetraene-4',19,48,59-tetrol (1R,3S,4'S,6R,8S,10R,12S,16R,18R,19R,20S,22R,25S,27R,29Z,32S,34R,36S,38R,40S,42R,43S,44S,45R,47S,48S,49S,50R,52S,54R,56R,58S,59R)-16-[(1E,3S)-3,4-dihydroxybut-1-en-1-yl]-43,44,49,54,58-pentamethyl-2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxaspiro[dodecacyclo[30.28.0.0^{3,27}.0^{6,25}.0^{8,22}.0^{10,20}.0^{12,18}.0^{34,58}.0^{36,56}.0^{38,52}.0^{40,50}.0^{42,47}]hexacontane-45,2'-oxolane]-4,14,23,29-tetraene-4',19,48,59-tetrol 189013-49-8 CC1C(C)C2(CC(O)CO2)OC2C1OC1CC3OC4CC5OC6C\C=C/CC7OC8C=CC9OC%10C(CC9OC8C=CC7OC6CC(O)C5(C)OC4CC(C)CC3OC1C(C)C2O)OC1CC=CC(OC1C%10O)\C=C/C(O)CO InChI=1S/C60H86O19/c1-28-19-42-44(22-48-54(76-42)30(3)52(65)58-55(77-48)29(2)31(4)60(79-58)25-33(63)27-67-60)73-46-24-51-59(5,78-47(46)20-28)50(64)23-45-36(74-51)11-7-6-10-35-37(71-45)15-16-39-38(69-35)17-18-40-43(70-39)21-49-57(75-40)53(66)56-41(72-49)12-8-9-34(68-56)14-13-32(62)26-61/h6-9,13-18,28-58,61-66H,10-12,19-27H2,1-5H3/b7-6-,14-13- VYVRIXWNTVOIRD-ZBXVJARNSA-N belongs to the class of organic compounds known as ciguatera toxins. These are lipid-soluble polyether compounds consisting of 13 to 14 rings fused by ether linkages into a most rigid ladder-like structure. Ciguatera toxins Organic compounds Phenylpropanoids and polyketides Ciguatera toxins Aliphatic heteropolycyclic compounds Dialkyl ethers Hydrocarbon derivatives Ketals Monosaccharides Oxacyclic compounds Oxanes Oxepanes Polyols Primary alcohols Secondary alcohols Tetrahydrofurans Acetal Alcohol Aliphatic heteropolycyclic compound Ciguatera toxin fragment Dialkyl ether Ether Hydrocarbon derivative Ketal Monosaccharide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxepane Polyol Primary alcohol Secondary alcohol Tetrahydrofuran Cyclic polyethers ciguatoxin logp 2.76 ChemAxon pka_strongest_acidic 12.87 ChemAxon pka_strongest_basic -3 ChemAxon iupac (1R,3S,4'S,6R,8S,10R,12S,16R,18R,19R,20S,22R,25S,27R,29Z,32S,34R,36S,38R,40S,42R,43S,44S,45R,47S,48S,49S,50R,52S,54R,56R,58S,59R)-16-[(1E,3S)-3,4-dihydroxybut-1-en-1-yl]-43,44,49,54,58-pentamethyl-2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxaspiro[dodecacyclo[30.28.0.0^{3,27}.0^{6,25}.0^{8,22}.0^{10,20}.0^{12,18}.0^{34,58}.0^{36,56}.0^{38,52}.0^{40,50}.0^{42,47}]hexacontane-45,2'-oxolane]-4,14,23,29-tetraene-4',19,48,59-tetrol ChemAxon average_mass 1111.3134 ChemAxon mono_mass 1110.57633057 ChemAxon smiles CC1C(C)C2(CC(O)CO2)OC2C1OC1CC3OC4CC5OC6C\C=C/CC7OC8C=CC9OC%10C(CC9OC8C=CC7OC6CC(O)C5(C)OC4CC(C)CC3OC1C(C)C2O)OC1CC=CC(OC1C%10O)\C=C/C(O)CO ChemAxon formula C60H86O19 ChemAxon inchi InChI=1S/C60H86O19/c1-28-19-42-44(22-48-54(76-42)30(3)52(65)58-55(77-48)29(2)31(4)60(79-58)25-33(63)27-67-60)73-46-24-51-59(5,78-47(46)20-28)50(64)23-45-36(74-51)11-7-6-10-35-37(71-45)15-16-39-38(69-35)17-18-40-43(70-39)21-49-57(75-40)53(66)56-41(72-49)12-8-9-34(68-56)14-13-32(62)26-61/h6-9,13-18,28-58,61-66H,10-12,19-27H2,1-5H3/b7-6-,14-13- ChemAxon inchikey VYVRIXWNTVOIRD-ZBXVJARNSA-N ChemAxon polar_surface_area 241.37 ChemAxon refractivity 284.16 ChemAxon polarizability 123.17 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 19 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 73332 Specdb::MsMs 73333 Specdb::MsMs 73334 Specdb::MsMs 132489 Specdb::MsMs 132490 Specdb::MsMs 132491 HMDB39394 36467 #<Reference:0x000055ce32c9f3f0> Crustaceans Unknown generic 6657 Fishes Unknown generic