Compound Identification
SMILES
[Na+].[Na+].C[C@H]1CC[C@]2(C)O[C@]3(C)CCC4OC5CC6OC7CC(OS([O-])(=O)=O)[C@@](C)(CCCOS([O-])(=O)=O)OC7CC6OC5CC4OC3CC2OC2CC3OC4CC5OC(C(=C)CC5O[C@]4(C)C(O)C3OC12)[C@](C)(O)\C=C\[C@H](CC=C)C(O)=O
InChIKey
InChIKey=JOJWPVJAXRAZKR-UDMKFLBYSA-L
Formula
C56H82Na2O23S2
Mass
1233.35
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
Medium-chain fatty acids Oxepanes Hydroxy fatty acids Unsaturated fatty acids Sulfuric acid monoesters Oxanes Alkyl sulfates Monosaccharides Tertiary alcohols Secondary alcohols Oxacyclic compounds Carboxylic acids Dialkyl ethers Monocarboxylic acids and derivatives Organic sodium salts Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic cations
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Ciguatera toxin fragment - Medium-chain fatty acid - Hydroxy fatty acid - Oxepane - Monosaccharide - Oxane - Sulfuric acid monoester - Sulfate-ester - Unsaturated fatty acid - Alkyl sulfate - Sulfuric acid ester - Fatty acid - Fatty acyl - Tertiary alcohol - Organic sulfuric acid or derivatives - Secondary alcohol - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Organic alkali metal salt - Ether - Organoheterocyclic compound - Dialkyl ether - Monocarboxylic acid or derivatives - Carbonyl group - Organic sodium salt - Alcohol - Organic oxygen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aliphatic 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