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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Quinazolines
Direct Parent
Tetrodotoxins
Alternative Parents
Alpha amino acid esters Disaccharides Aminosaccharides Diazinanes Oxanes Gamma butyrolactones 1,3-dioxanes Tetrahydrofurans Carboxylic acid esters Cyclic alcohols and derivatives Secondary alcohols Guanidines Orthocarboxylic acid derivatives Oxacyclic compounds Carboximidamides Azacyclic compounds Polyols Monocarboxylic acids and derivatives Alkanolamines Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Alkoxides Organic zwitterions Organopnictogen compounds
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