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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazanaphthalenes
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Subclass
Benzodiazines
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Level 5
Quinazolines
- Level 6 Tetrodotoxins
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Level 5
Quinazolines
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Subclass
Benzodiazines
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Class
Diazanaphthalenes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Quinazolines
Direct Parent
Tetrodotoxins
Alternative Parents
L-alpha-amino acids Carbocyclic fatty acids Beta hydroxy acids and derivatives Hydroxy fatty acids Aminosaccharides Oxanes Diazinanes 1,3-dioxanes Monosaccharides Tertiary alcohols 1,3-aminoalcohols Secondary alcohols Cyclic alcohols and derivatives Guanidines Orthocarboxylic acid derivatives Amino acids Oxacyclic compounds Carboximidamides Azacyclic compounds Carboxylic acids Polyols Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Alkoxides Organic zwitterions Organopnictogen compounds
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