Structure Information
Structure

Compound Identification

SMILES

NC1=[NH+][C@@]23[C@@H](N1)[C@H](COC(=O)C1=CC=C(O)C=C1)N=C(N)N2C[C@H](OS([O-])(=O)=O)C3(O)O

InChIKey

InChIKey=LRNLMLCDWDXILE-VEABSNGSSA-N

Formula

C16H20N6O9S

Mass

472.43

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Saxitoxins, gonyautoxins, and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Saxitoxins, gonyautoxins, and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Saxitoxin-gonyautoxin skeleton - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - Benzoate ester - Imidazopyrimidine - Benzoic acid or derivatives - Benzoyl - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Sulfate-ester - Sulfuric acid ester - Sulfuric acid monoester - Alkyl sulfate - Benzenoid - Monocyclic benzene moiety - 1,4,5,6-tetrahydropyrimidine - Hydropyrimidine - Pyrrolidine - Organic sulfuric acid or derivatives - 2-imidazoline - Amino acid or derivatives - Carboxylic acid ester - Guanidine - Tertiary amine - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carbonyl hydrate - 1,1-diol - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Amine - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organic zwitterion - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as saxitoxins, gonyautoxins, and derivatives. These are compounds with a structure based on a 2,6-diamino-4-methyl-pyrrolo[1,2-c]purin-10-ol skeleton.

External Descriptors

Not available

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