11-Hydroxysaxitoxin; 11α-form, 11-Hydroxy, N14-sulfonic acid
AlkaPlorer ID: AK302066
Synonym: Toxin M3
IUPAC Name: (2,6-diamino-9,9,10,10-tetrahydroxy-1,3a,4,8-tetrahydropyrrolo[1,2-c]purin-4-yl)methoxycarbonylsulfamic acid
Structure
SMILES: N=C1NC2C(COC(=O)NS(=O)(=O)O)NC(=N)N3CC(O)(O)C(O)(O)C23N1
InChI: InChI=1S/C10H17N7O9S/c11-5-14-4-3(1-26-7(18)16-27(23,24)25)13-6(12)17-2-8(19,20)10(21,22)9(4,17)15-5/h3-4,19-22H,1-2H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,23,24,25)
InChIKey: GEQVLVSQKTUBFK-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alexandrium tamarense | Alexandrium | Pyrocystaceae | Gonyaulacales | Dinophyceae | None | None | Eukaryota |
Properties Information
Molecule Weight: 411.3530000000001
TPSA？: 260.6499999999999
MolLogP？: -5.708159999999996
Number of H-Donors: 11
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|