Molecule

Saxitoxin; N1-Hydroxy

AlkaPlorer ID: AK312997

Synonym: Neosaxitoxin

IUPAC Name: (2-amino-5,10,10-trihydroxy-6-imino-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl)methyl carbamate

SMILES: N=C1NC2C(COC(N)=O)N(O)C(=N)N3CCC(O)(O)C23N1

InChI: InChI=1S/C10H17N7O5/c11-6-14-5-4(3-22-8(13)18)17(21)7(12)16-2-1-9(19,20)10(5,16)15-6/h4-5,12,19-21H,1-3H2,(H2,13,18)(H3,11,14,15)

InChIKey: PPEKGEBBBBNZKS-UHFFFAOYSA-N

PubChem CID: 4255631

COCONUT: CNP0202132.4

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Vibrio sp.	Vibrio	Vibrionaceae	Vibrionales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
None	Gonyaulax	Gonyaulacaceae	Gonyaulacales	Dinophyceae	None	None	Eukaryota
None	Saxidomus	Veneridae	Venerida	Bivalvia	Mollusca	Metazoa	Eukaryota
Aphanizomenon flos-aquae	Aphanizomenon	Aphanizomenonaceae	Nostocales	Cyanophyceae	Cyanobacteriota	None	Bacteria
None	Pyrodinium	Pyrocystaceae	Gonyaulacales	Dinophyceae	None	None	Eukaryota

Molecule Weight: 315.29

TPSA？: 191.25

MolLogP？: -3.331059999999997

Number of H-Donors: 8

Number of H-Acceptors: 7

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi