1.0 2010-04-08 22:09:42 UTC 2025-11-18 23:29:10 UTC FDB011565 Protogonyautoxin I From Gonyaulax and Protogonyaulax subspecies Protogonyautoxin I is found in mollusks. Protogonyautoxin I Toxin C1 Toxin PX1 C10H17N7O11S2 475.412 475.042745801 [10,10-dihydroxy-2,6-diimino-4-({[(sulfoamino)carbonyl]oxy}methyl)-decahydropyrrolo[1,2-c]purin-9-yl]oxidanesulfonic acid [10,10-dihydroxy-2,6-diimino-4-({[(sulfoamino)carbonyl]oxy}methyl)-hexahydro-1H-pyrrolo[1,2-c]purin-9-yl]oxidanesulfonic acid 80173-30-4 OC1(O)C(CN2C(=N)NC(COC(=O)NS(O)(=O)=O)C3NC(=N)NC123)OS(O)(=O)=O InChI=1S/C10H17N7O11S2/c11-6-14-5-3(2-27-8(18)16-29(21,22)23)13-7(12)17-1-4(28-30(24,25)26)10(19,20)9(5,17)15-6/h3-5,19-20H,1-2H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)(H,24,25,26) OKSSKVHGKYJNLL-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 Alkyl sulfates Azacyclic compounds Carbonyl compounds Carbonyl hydrates Carboximidamides Guanidines Hydrocarbon derivatives Hydropyrimidines Imidazolines Imidazopyrimidines Organic carbonic acids and derivatives Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Pyrrolidines Sulfuric acid monoesters 1,4,5,6-tetrahydropyrimidine 2-imidazoline Aliphatic heteropolycyclic compound Alkaloid or derivatives Alkyl sulfate Azacycle Carbonic acid derivative Carbonyl group Carbonyl hydrate Carboximidamide Guanidine Hydrocarbon derivative Hydropyrimidine Imidazopyrimidine Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfuric acid or derivatives Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Pyrrolidine Saxitoxin-gonyautoxin skeleton Sulfate-ester Sulfuric acid ester Sulfuric acid monoester logp -2.70 ALOGPS logs -2.42 ALOGPS solubility 1.83e+00 g/l ALOGPS logp -4.3 ChemAxon pka_strongest_acidic -2 ChemAxon pka_strongest_basic 9.69 ChemAxon iupac [10,10-dihydroxy-2,6-diimino-4-({[(sulfoamino)carbonyl]oxy}methyl)-decahydropyrrolo[1,2-c]purin-9-yl]oxidanesulfonic acid ChemAxon average_mass 475.412 ChemAxon mono_mass 475.042745801 ChemAxon smiles OC1(O)C(CN2C(=N)NC(COC(=O)NS(O)(=O)=O)C3NC(=N)NC123)OS(O)(=O)=O ChemAxon formula C10H17N7O11S2 ChemAxon inchi InChI=1S/C10H17N7O11S2/c11-6-14-5-3(2-27-8(18)16-29(21,22)23)13-7(12)17-1-4(28-30(24,25)26)10(19,20)9(5,17)15-6/h3-5,19-20H,1-2H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)(H,24,25,26) ChemAxon inchikey OKSSKVHGKYJNLL-UHFFFAOYSA-N ChemAxon polar_surface_area 283.79 ChemAxon refractivity 110.33 ChemAxon polarizability 39 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 15 ChemAxon donor_count 10 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26271 Specdb::CMs 43334 Specdb::CMs 117005 Specdb::CMs 133121 Specdb::CMs 140855 Specdb::CMs 903996 Specdb::CMs 903997 Specdb::CMs 903998 Specdb::CMs 903999 Specdb::CMs 904000 Specdb::CMs 904001 Specdb::CMs 904002 Specdb::CMs 904003 Specdb::CMs 904004 Specdb::CMs 904005 Specdb::CMs 904006 Specdb::CMs 904007 Specdb::CMs 904008 Specdb::CMs 904009 Specdb::CMs 904010 Specdb::CMs 904011 Specdb::CMs 904012 Specdb::CMs 904013 Specdb::CMs 904014 Specdb::CMs 904015 Specdb::MsMs 80637 Specdb::MsMs 80638 Specdb::MsMs 80639 Specdb::MsMs 141555 Specdb::MsMs 141556 Specdb::MsMs 141557 Specdb::MsMs 2448548 Specdb::MsMs 2448549 Specdb::MsMs 2448550 Specdb::MsMs 2486412 Specdb::MsMs 2486413 Specdb::MsMs 2486414 Specdb::NmrOneD 120338 Specdb::NmrOneD 120339 Specdb::NmrOneD 120340 Specdb::NmrOneD 120341 Specdb::NmrOneD 120342 Specdb::NmrOneD 120343 Specdb::NmrOneD 120344 Specdb::NmrOneD 120345 Specdb::NmrOneD 120346 Specdb::NmrOneD 120347 Specdb::NmrOneD 120348 Specdb::NmrOneD 120349 Specdb::NmrOneD 120350 Specdb::NmrOneD 120351 Specdb::NmrOneD 120352 Specdb::NmrOneD 120353 Specdb::NmrOneD 120354 Specdb::NmrOneD 120355 Specdb::NmrOneD 120356 Specdb::NmrOneD 120357 HMDB0033511 Mollusks Unknown generic 6447