11-Saxitoxinacetic acid
AlkaPlorer ID: AK065124
Synonym: 11-Saxitoxinethanoic acid
IUPAC Name: 2-[2,6-diamino-4-(carbamoyloxymethyl)-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl]acetic acid
Structure
SMILES: N=C1NC2C(COC(N)=O)NC(=N)N3CC(CC(=O)O)C(O)(O)C23N1
InChI: InChI=1S/C12H19N7O6/c13-8-17-7-5(3-25-10(15)22)16-9(14)19-2-4(1-6(20)21)12(23,24)11(7,19)18-8/h4-5,7,23-24H,1-3H2,(H2,14,16)(H2,15,22)(H,20,21)(H3,13,17,18)
InChIKey: SMWWHDAUBMWEJQ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Atergatis floridus | Atergatis | Xanthidae | Decapoda | Malacostraca | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 357.32700000000006
TPSA？: 217.11
MolLogP？: -3.7318599999999966
Number of H-Donors: 9
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|