Compound Identification
SMILES
[Na+].CCOC(=O)\C=C\CCCC[C@@H]1O[C@@]2(CCCCCCCCCCCCCCCOC[C@@H](N)COS([O-])(=O)=O)CC[C@H](O)[C@@H]1O2
InChIKey
InChIKey=TZKSGBMQOZNUFF-MVZRVAOPSA-M
Formula
C33H60NNaO10S
Mass
685.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Oxepanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxepanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Oxepanes
Alternative Parents
Ketals Fatty acid esters Sulfuric acid monoesters Oxanes Alkyl sulfates 1,3-dioxolanes Enoate esters Secondary alcohols Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Hydrocarbon derivatives Monoalkylamines Organic oxides Carbonyl compounds Organic sodium salts Organic zwitterions Organopnictogen compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Oxepane - Ketal - Fatty acid ester - Oxane - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Sulfuric acid ester - Fatty acyl - Organic sulfuric acid or derivatives - Meta-dioxolane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Amino acid or derivatives - Secondary alcohol - Organic alkali metal salt - Oxacycle - Carboxylic acid derivative - Acetal - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Primary aliphatic amine - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Amine - Alcohol - Organic oxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.
External Descriptors
Not available