Saxitoxin; Decarbamoyl, 13-Ac
AlkaPlorer ID: AK042854
Synonym: LWTX5
IUPAC Name: (2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl)methyl acetate
Structure
SMILES: CC(=O)OCC1NC(=N)N2CCC(O)(O)C23NC(=N)NC13
InChI: InChI=1S/C11H18N6O4/c1-5(18)21-4-6-7-11(16-8(12)15-7)10(19,20)2-3-17(11)9(13)14-6/h6-7,19-20H,2-4H2,1H3,(H2,13,14)(H3,12,15,16)
InChIKey: FYMGGEYPNDYSSU-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Lyngbya | Oscillatoriaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 298.30299999999994
TPSA？: 153.79000000000002
MolLogP？: -2.964859999999997
Number of H-Donors: 7
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|