1.0 2010-04-08 22:09:42 UTC 2019-11-26 03:05:05 UTC FDB011567 Gonyautoxin VI Production by Gonyaulax and Protogonyaulax subspecies, isolated from shellfish. Neurotoxin; causal agent with Saxitoxin, of shellfish poisoning. Gonyautoxin VI is found in mollusks. Gonyautoxin-vi Toxin B2 C10H17N7O8S 395.349 395.085931245 2,6-diimino-4-({[(sulfoamino)carbonyl]oxy}methyl)-decahydropyrrolo[1,2-c]purine-5,10,10-triol 2,6-diimino-4-({[(sulfoamino)carbonyl]oxy}methyl)-hexahydropyrrolo[1,2-c]purine-5,10,10-triol 82810-44-4 ON1C(COC(=O)NS(O)(=O)=O)C2NC(=N)NC22N(CCC2(O)O)C1=N InChI=1S/C10H17N7O8S/c11-6-13-5-4(3-25-8(18)15-26(22,23)24)17(21)7(12)16-2-1-9(19,20)10(5,16)14-6/h4-5,12,19-21H,1-3H2,(H,15,18)(H3,11,13,14)(H,22,23,24) ALRRPAKWGUBPBK-UHFFFAOYSA-N belongs to the class of organic compounds known as saxitoxins, gonyautoxins, and derivatives. Saxitoxins, gonyautoxins, and derivatives are compounds with a structure based on a 2,6-diamino-4-methyl-pyrrolo[1,2-c]purin-10-ol skeleton. Saxitoxins, gonyautoxins, and derivatives Organic compounds Phenylpropanoids and polyketides Saxitoxins, gonyautoxins, and derivatives Aliphatic heteropolycyclic compounds Alkaloids and derivatives Azacyclic compounds Carbonyl hydrates Carboximidamides Diazinanes Hydrocarbon derivatives Imidazolidines Imidazopyrimidines Imines N-hydroxyguanidines Organic oxides Organic sulfuric acids and derivatives Organopnictogen compounds Polyols Pyrrolidines 1,3-diazinane Aliphatic heteropolycyclic compound Alkaloid or derivatives Azacycle Carbonyl hydrate Carboximidamide Guanidine Hydrocarbon derivative Imidazolidine Imidazopyrimidine Imine N-hydroxyguanidine Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfuric acid or derivatives Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Polyol Pyrrolidine Saxitoxin-gonyautoxin skeleton logp -2.07 ALOGPS logs -2.44 ALOGPS solubility 1.45e+00 g/l ALOGPS logp -4.3 ChemAxon pka_strongest_acidic -1.6 ChemAxon pka_strongest_basic 9.71 ChemAxon iupac 2,6-diimino-4-({[(sulfoamino)carbonyl]oxy}methyl)-decahydropyrrolo[1,2-c]purine-5,10,10-triol ChemAxon average_mass 395.349 ChemAxon mono_mass 395.085931245 ChemAxon smiles ON1C(COC(=O)NS(O)(=O)=O)C2NC(=N)NC22N(CCC2(O)O)C1=N ChemAxon formula C10H17N7O8S ChemAxon inchi InChI=1S/C10H17N7O8S/c11-6-13-5-4(3-25-8(18)15-26(22,23)24)17(21)7(12)16-2-1-9(19,20)10(5,16)14-6/h4-5,12,19-21H,1-3H2,(H,15,18)(H3,11,13,14)(H,22,23,24) ChemAxon inchikey ALRRPAKWGUBPBK-UHFFFAOYSA-N ChemAxon polar_surface_area 231.63 ChemAxon refractivity 100.59 ChemAxon polarizability 33.45 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 13 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14424 Specdb::CMs 43335 Specdb::CMs 172880 Specdb::MsMs 297826 Specdb::MsMs 297827 Specdb::MsMs 297828 Specdb::MsMs 339457 Specdb::MsMs 339458 Specdb::MsMs 339459 Specdb::MsMs 2792753 Specdb::MsMs 2792754 Specdb::MsMs 2792755 Specdb::MsMs 2916137 Specdb::MsMs 2916138 Specdb::MsMs 2916139 Specdb::NmrOneD 120358 Specdb::NmrOneD 120359 Specdb::NmrOneD 120360 Specdb::NmrOneD 120361 Specdb::NmrOneD 120362 Specdb::NmrOneD 120363 Specdb::NmrOneD 120364 Specdb::NmrOneD 120365 Specdb::NmrOneD 120366 Specdb::NmrOneD 120367 Specdb::NmrOneD 120368 Specdb::NmrOneD 120369 Specdb::NmrOneD 120370 Specdb::NmrOneD 120371 Specdb::NmrOneD 120372 Specdb::NmrOneD 120373 Specdb::NmrOneD 120374 Specdb::NmrOneD 120375 Specdb::NmrOneD 120376 Specdb::NmrOneD 120377 HMDB33512 #<Reference:0x000055ce31dc6518> Mollusks Unknown generic 6447