11-Hydroxysaxitoxin; 11α-form, 11-Hydroxy

AlkaPlorer ID: AK302059

Synonym: 11,11-Dihydroxysaxitoxin, Toxin M4 

IUPAC Name: (2,6-diamino-9,9,10,10-tetrahydroxy-1,3a,4,8-tetrahydropyrrolo[1,2-c]purin-4-yl)methyl carbamate

Structure

SMILES: N=C1NC2C(COC(N)=O)NC(=N)N3CC(O)(O)C(O)(O)C23N1

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InChI: InChI=1S/C10H17N7O6/c11-5-15-4-3(1-23-7(13)18)14-6(12)17-2-8(19,20)10(21,22)9(4,17)16-5/h3-4,19-22H,1-2H2,(H2,12,14)(H2,13,18)(H3,11,15,16)

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InChIKey: AYQBNFCPVJEXBA-UHFFFAOYSA-N

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Reference

PubChem CID: 163075897

COCONUT: CNP0376192.1

Source

Species Genus Family Order Class Phylum Kingdom Domain
Alexandrium tamarense Alexandrium Pyrocystaceae Gonyaulacales Dinophyceae None None Eukaryota

Properties Information

Molecule Weight: 331.28900000000004

TPSA: 220.26999999999995

MolLogP: -5.141859999999996

Number of H-Donors: 10

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information