1.0 2010-04-08 22:14:19 UTC 2019-11-26 03:17:26 UTC FDB019373 Pacific Ciguatoxin 2 Isolated from Lycodontis javanicus and moray eel. Pacific Ciguatoxin 2 is found in fishes. 52-Epiciguatoxin 3 Ciguatoxin 2 Ciguatoxin CTX 2 Ciguatoxin-2 Ciguatoxin, 54-deoxy- CTX 2 P-CTX 2 Pacific Ciguatoxin 2 C60H86O18 1095.314 1094.581415948 (29Z)-16-[(1Z)-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[30.28.0.0³,²⁷.0⁶,²⁵.0⁸,²².0¹⁰,²⁰.0¹²,¹⁸.0³⁴,⁵⁸.0³⁶,⁵⁶.0³⁸,⁵².0⁴⁰,⁵⁰.0⁴²,⁴⁷]hexacontane-45,2'-oxolane]-4,14,23,29-tetraene-19,48,59-triol (29Z)-16-[(1Z)-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[30.28.0.0³,²⁷.0⁶,²⁵.0⁸,²².0¹⁰,²⁰.0¹²,¹⁸.0³⁴,⁵⁸.0³⁶,⁵⁶.0³⁸,⁵².0⁴⁰,⁵⁰.0⁴²,⁴⁷]hexacontane-45,2'-oxolane]-4,14,23,29-tetraene-19,48,59-triol 139341-09-6 CC1C(C)C2(CCCO2)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/C60H86O18/c1-29-22-42-44(25-48-54(75-42)31(3)52(64)58-55(76-48)30(2)32(4)60(78-58)20-9-21-66-60)72-46-27-51-59(5,77-47(46)23-29)50(63)26-45-36(73-51)12-7-6-11-35-37(70-45)16-17-39-38(68-35)18-19-40-43(69-39)24-49-57(74-40)53(65)56-41(71-49)13-8-10-34(67-56)15-14-33(62)28-61/h6-8,10,14-19,29-58,61-65H,9,11-13,20-28H2,1-5H3/b7-6-,15-14- RWSYPPRKMNWNII-HXDWTSBLSA-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 logp 2.38 ALOGPS logs -5.01 ALOGPS solubility 1.06e-02 g/l ALOGPS logp 3.47 ChemAxon pka_strongest_acidic 12.88 ChemAxon pka_strongest_basic -3 ChemAxon iupac (29Z)-16-[(1Z)-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[30.28.0.0³,²⁷.0⁶,²⁵.0⁸,²².0¹⁰,²⁰.0¹²,¹⁸.0³⁴,⁵⁸.0³⁶,⁵⁶.0³⁸,⁵².0⁴⁰,⁵⁰.0⁴²,⁴⁷]hexacontane-45,2'-oxolane]-4,14,23,29-tetraene-19,48,59-triol ChemAxon average_mass 1095.314 ChemAxon mono_mass 1094.581415948 ChemAxon smiles CC1C(C)C2(CCCO2)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 C60H86O18 ChemAxon inchi InChI=1S/C60H86O18/c1-29-22-42-44(25-48-54(75-42)31(3)52(64)58-55(76-48)30(2)32(4)60(78-58)20-9-21-66-60)72-46-27-51-59(5,77-47(46)23-29)50(63)26-45-36(73-51)12-7-6-11-35-37(70-45)16-17-39-38(68-35)18-19-40-43(69-39)24-49-57(74-40)53(65)56-41(71-49)13-8-10-34(67-56)15-14-33(62)28-61/h6-8,10,14-19,29-58,61-65H,9,11-13,20-28H2,1-5H3/b7-6-,15-14- ChemAxon inchikey RWSYPPRKMNWNII-HXDWTSBLSA-N ChemAxon polar_surface_area 221.14 ChemAxon refractivity 283.37 ChemAxon polarizability 119.99 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 18 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 305158 Specdb::MsMs 305159 Specdb::MsMs 305160 Specdb::MsMs 348514 Specdb::MsMs 348515 Specdb::MsMs 348516 Specdb::MsMs 2674783 Specdb::MsMs 2674784 Specdb::MsMs 2674785 Specdb::MsMs 3034775 Specdb::MsMs 3034776 Specdb::MsMs 3034777 HMDB29781 #<Reference:0x000055ce3230b820> Fishes Unknown generic