16)15-6/h4-5
AlkaPlorer ID: AK009434
Synonym: '64296-20-4', 'NEO'
IUPAC Name: [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-5-oxido-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-5-ium-4-yl]methyl carbamate
Structure
SMILES: N=C1N(O)[C@@H](COC(N)=O)[C@@H]2NC(N)=N[C@]23N1CCC3(O)O
InChI: InChI=1S/C10H17N7O5/c11-6-14-5-4(3-22-8(13)18)17(21)7(12)16-2-1-9(19,20)10(5,16)15-6/h4-5,12,19-21H,1-3H2,(H2,13,18)(H3,11,14,15)/t4-,5-,10-/m0/s1
InChIKey: PPEKGEBBBBNZKS-HGRQIUPRSA-N
Reference
Tetrodotoxin in the horseshoe crab Carcinoscorpius rotundicauda inhabiting Thailand.
PubChem CID: 21117946
CAS: 64296-20-4
LOTUS: LTS0217860
SuperNatural Ⅲ: SN0291497-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aphanizomenon flos-aquae | Aphanizomenon | Aphanizomenonaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 315.2900000000001
TPSA？: 193.75
MolLogP？: -3.540729999999998
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|