Structure Information
Structure

Compound Identification

SMILES

N[C@H]1[C@@H](O)C2(OC1=O)C1OC3([O-])OC2C2C(O)NC(=[NH2+])NC2(C1O)[C@@H]3O

InChIKey

InChIKey=ATFFULKPKFNOCK-QZDZAFRWSA-O

Formula

C13H18N4O9

Mass

374.306

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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 ester - Disaccharide - Alpha-amino acid or derivatives - Amino saccharide - Meta-dioxane - Oxane - Gamma butyrolactone - 1,3-diazinane - Tetrahydrofuran - Cyclic alcohol - Carboxylic acid ester - Amino acid or derivatives - Secondary alcohol - Lactone - Guanidine - Orthocarboxylic acid derivative - Alkanolamine - Carboxylic acid derivative - Oxacycle - Azacycle - Carboximidamide - Monocarboxylic acid or derivatives - Polyol - Alkoxide - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Primary amine - Primary aliphatic amine - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Amine - 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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