Compound Identification
SMILES
[Na+].CCCCCCC(=O)CCCCCCCC[C@@H](OS([O-])(=O)=O)[C@@](N)(CO)C(O)=O
InChIKey
InChIKey=PGDNRSKECWNWIQ-ZFNKBKEPSA-M
Formula
C19H36NNaO8S
Mass
461.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acids and conjugates
- Level 5 Long-chain fatty acids
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Subclass
Fatty acids and conjugates
-
Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acids and conjugates
Intermediate Tree Nodes
Not available
Direct Parent
Long-chain fatty acids
Alternative Parents
D-alpha-amino acids L-alpha-amino acids Beta hydroxy acids and derivatives Hydroxy fatty acids Keto fatty acids Sulfuric acid monoesters Alkyl sulfates Amino acids Ketones Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Organic sodium salts Primary alcohols Monoalkylamines Organic cations
Molecular Framework
Aliphatic acyclic compounds
Substituents
Long-chain fatty acid - Alpha-amino acid - Alpha-amino acid or derivatives - D-alpha-amino acid - L-alpha-amino acid - Keto fatty acid - Hydroxy fatty acid - Beta-hydroxy acid - Hydroxy acid - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Ketone - Amino acid - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic alkali metal salt - Alcohol - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary alcohol - Primary amine - Organic salt - Organic sodium salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organic cation - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
External Descriptors
LIPIDMAPS (LMSP01080021) : Sphingoid base analogs