Compound Identification
SMILES
C[C@H]1CC[C@]2(C)O[C@]3(C)CCC4OC5CC6OC7CC(OS(O)(=O)=O)[C@@](C)(CCOS(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=BQABHFBKXNDLTF-UMAQSOFXSA-N
Formula
C55H82O23S2
Mass
1175.36
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
Sulfated fatty acids Medium-chain fatty acids Branched fatty acids Heterocyclic fatty acids Hydroxy fatty acids Oxepanes Alkyl sulfates Unsaturated fatty acids Sulfuric acid monoesters Monosaccharides Oxanes Tertiary alcohols Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Oxacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Ciguatera toxin fragment - Sulfated fatty acid - Medium-chain fatty acid - Branched fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - Oxepane - Monosaccharide - Oxane - Fatty acyl - Fatty acid - Sulfuric acid monoester - Sulfate-ester - Unsaturated fatty acid - Alkyl sulfate - Sulfuric acid ester - Tertiary alcohol - Organic sulfuric acid or derivatives - Secondary alcohol - Monocarboxylic acid or derivatives - Oxacycle - Ether - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Dialkyl ether - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - 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