Specification
Synonyms
(3aS,4R,9R,10aS)-2,6-Diamino-4-[[(aminocarbonyl)oxy]methyl]-3a,4,8,9-tetrahydro-1H,10H-pyrrolo[1,2-c]purine-9,10,10-triol 9-(Hydrogen Sulfate); (+)-Gonyautoxin 3; 11β-Hydroxysaxitoxin 11-sulfate; GTX III; GTX3; Gonyautoxin III; Toxin GTX3;
IUPAC Name
[(3aS,4R,9S,10aS)-2,6-diamino-4-(carbamoyloxymethyl)-10,10-dihydroxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-9-yl] sulfate; hydron
Canonical SMILES
C1C(C(C23N1C(=NC(C2N=C(N3)N)COC(=O)N)N)(O)O)OS(=O)(=O)O
InChI Key
ARSXTTJGWGCRRR-LJRZAWCWSA-N