Tetrodotoxin; 11-Aldehyde
AlkaPlorer ID: AK315681
Synonym: 11-Deoxy-11-oxotetrodotoxin
IUPAC Name: 3-amino-5,9,12,13,14-pentahydroxy-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-14-carbaldehyde
Structure
SMILES: N=C1NC(O)C2C3OC4(O)OC(C(O)C2(N1)C4O)C3(O)C=O
InChI: InChI=1S/C11H15N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h1-7,16-20H,(H3,12,13,14)
InChIKey: AWPSOPFZRFNJNJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Arothron nigropunctatus | Arothron | Tetraodontidae | Tetraodontiformes | Actinopteri | Chordata | Metazoa | Eukaryota |
| Takifugu poecilonotus | Takifugu | Tetraodontidae | Tetraodontiformes | Actinopteri | Chordata | Metazoa | Eukaryota |
| Takifugu pardalis | Takifugu | Tetraodontidae | Tetraodontiformes | Actinopteri | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 317.2540000000001
TPSA？: 184.59
MolLogP？: -5.103529999999995
Number of H-Donors: 8
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|