Compound Identification
SMILES
CCCCCCCCCCCC\C=C/[C@H](SC[C@H](N)C(O)=O)[C@H](O)CCC(O)=O
InChIKey
InChIKey=SHGPUOHVVQXGGH-MDRCPREYSA-N
Formula
C22H41NO5S
Mass
431.63
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
L-cysteine-S-conjugates L-alpha-amino acids Hydroxy fatty acids Thia fatty acids Methyl-branched fatty acids Dicarboxylic acids and derivatives Unsaturated fatty acids Secondary alcohols Amino acids Sulfenyl compounds Dialkylthioethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Monoalkylamines
Molecular Framework
Aliphatic acyclic compounds
Substituents
Long-chain fatty acid - L-cysteine-s-conjugate - Cysteine or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Branched fatty acid - Methyl-branched fatty acid - Hydroxy fatty acid - Thia fatty acid - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Amino acid or derivatives - Amino acid - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Sulfenyl compound - Thioether - Amine - Organic oxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - 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
Not available