Structure Information
Structure

Compound Identification

SMILES

[Na+].[Na+].COC(=O)[C@H](NC(=O)[C@H](CC=C)\C=C\[C@@](C)(O)[C@H]1O[C@@H]2C[C@@H]3O[C@@H]4C[C@@H]5O[C@@H]6C[C@@H]7O[C@@H]8C[C@@H]9O[C@@H]%10C[C@@H]%11O[C@](C)(CCOS([O-])(=O)=O)[C@H](C[C@H]%11O[C@H]%10C[C@H]9O[C@H]8CC[C@@]7(C)O[C@@]6(C)CC[C@H](C)[C@H]5O[C@H]4[C@@H](O)[C@@]3(C)O[C@H]2CC1=C)OS([O-])(=O)=O)C1=CC=CC=C1

InChIKey

InChIKey=YDVLWJVBTFLHQE-LARUDZCSSA-L

Formula

C64H89NNa2O24S2

Mass

1366.5

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Ciguatera toxins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Ciguatera toxins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Ciguatera toxin fragment - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Oxepane - Monocyclic benzene moiety - Fatty amide - Monosaccharide - N-acyl-amine - Oxane - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Sulfuric acid ester - Benzenoid - Fatty acyl - Organic sulfuric acid or derivatives - Methyl ester - Tertiary alcohol - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid ester - Organic alkali metal salt - Oxacycle - Dialkyl ether - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Carbonyl group - Organic sodium salt - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic salt - Organooxygen compound - Alcohol - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as ciguatera toxins. These are lipid-soluble polyether compounds consisting of 13 to 14 rings fused by ether linkages into a most rigid ladder-like structure.

External Descriptors

Not available

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