Compound Identification
SMILES
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=MQHOMEZKLDZROE-IBWFTHOQSA-N
Formula
C64H91NO24S2
Mass
1322.54
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 Alkyl sulfates Oxanes Benzene and substituted derivatives Sulfuric acid monoesters N-acyl amines Monosaccharides Tertiary alcohols Methyl esters Secondary alcohols Secondary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
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 - Methyl ester - Tertiary alcohol - Organic sulfuric acid or derivatives - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Alcohol - Organic oxygen compound - 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