Saxitoxin; N1-Hydroxy, decarbamoyl
AlkaPlorer ID: AK312998
Synonym: Decarbamoylneosaxitoxin
IUPAC Name: 2-amino-5-hydroxy-4-(hydroxymethyl)-6-imino-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purine-10,10-diol
Structure
SMILES: N=C1NC2C(CO)N(O)C(=N)N3CCC(O)(O)C23N1
InChI: InChI=1S/C9H16N6O4/c10-6-12-5-4(3-16)15(19)7(11)14-2-1-8(17,18)9(5,14)13-6/h4-5,11,16-19H,1-3H2,(H3,10,12,13)
InChIKey: KUMXVBFFVVLQFX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zosimus aeneus | Zosimus | Xanthidae | Decapoda | Malacostraca | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 272.265
TPSA？: 159.16
MolLogP？: -3.434059999999997
Number of H-Donors: 8
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|