Molecule

Saxitoxin; N14-Sulfonic acid

AlkaPlorer ID: AK313000

Synonym: Gonyautoxin V, GTX5, Toxin B1

IUPAC Name: (2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl)methoxycarbonylsulfamic acid

Structure

SMILES: N=C1NC2C(COC(O)=NS(=O)(=O)O)NC(=N)N3CCC(O)(O)C23N1

InChI: InChI=1S/C10H17N7O7S/c11-6-14-5-4(3-24-8(18)16-25(21,22)23)13-7(12)17-2-1-9(19,20)10(5,17)15-6/h4-5,19-20H,1-3H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)

InChIKey: JKKCSFJSULZNDN-UHFFFAOYSA-N

Reference

Structures of Two Paralytic Shellfish Toxins, Gonyautoxins V and VI, Isolated from a Tropical Dinoflagellate,<i>Pyrodinium bahamense</i>var.<i>compressa</i>

PubChem CID: 14917387

LOTUS: LTS0063034

COCONUT: CNP0233623.3

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Pyrodinium bahamense	Pyrodinium	Pyrocystaceae	Gonyaulacales	Dinophyceae	None	None	Eukaryota

Properties Information

Molecule Weight: 379.3550000000001

TPSA？: 223.68

MolLogP？: -3.794559999999997

Number of H-Donors: 9

Number of H-Acceptors: 7

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi