Structure Information
Structure

Compound Identification

SMILES

N[C@@H]([C@@H](O)C1(O)C2OC3([O-])OC1C1C(O)NC(=[NH2+])NC1(C2O)[C@@H]3O)C(O)=O

InChIKey

InChIKey=LUNYTXBBIROSBO-QZDZAFRWSA-O

Formula

C13H20N4O10

Mass

392.321

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazanaphthalenes

Subclass

Benzodiazines

Intermediate Tree Nodes

Quinazolines

Direct Parent

Tetrodotoxins

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Tetrodotoxin-skeleton - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Carbocyclic fatty acid - Hydroxy fatty acid - Beta-hydroxy acid - Amino saccharide - Meta-dioxane - 1,3-diazinane - Monosaccharide - Hydroxy acid - Fatty acyl - Oxane - Cyclic alcohol - 1,3-aminoalcohol - Tertiary alcohol - Secondary alcohol - Amino acid or derivatives - Guanidine - Orthocarboxylic acid derivative - Amino acid - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Polyol - Carboximidamide - Azacycle - Oxacycle - Alkanolamine - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Alkoxide - Organic zwitterion - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - Organic oxygen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as tetrodotoxins. These are compounds structurally characterized by the presence of the tetrodotoxin skeleton, which is based on 5,7-(epoxymethanooxy)quinazolin-10-olate moiety.

External Descriptors

Not available

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