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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Ciguatera toxins
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Ciguatera toxins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Ciguatera toxins
Alternative Parents
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Oxepanes Sulfuric acid monoesters Oxanes Alkyl sulfates Benzene and substituted derivatives N-acyl amines Monosaccharides Tertiary alcohols Methyl esters Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic sodium salts Organic cations
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