Compound Identification
SMILES
CCCCCCCCCC(CCCCCCCC(O)=O)CCCN(CC(=O)OCCS)CC1=CC=CC=N1
InChIKey
InChIKey=XGSYSAAUFVPZFP-UHFFFAOYSA-N
Formula
C31H54N2O4S
Mass
550.84
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
Alpha amino acid esters 2-pyridylmethylamines Amino fatty acids Heterocyclic fatty acids Aralkylamines Branched fatty acids Dicarboxylic acids and derivatives Heteroaromatic compounds Trialkylamines Amino acids Carboxylic acid esters Carboxylic acids Azacyclic compounds Alkylthiols Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Long-chain fatty acid - Alpha-amino acid ester - Alpha-amino acid or derivatives - 2-pyridylmethylamine - Amino fatty acid - Branched fatty acid - Heterocyclic fatty acid - Aralkylamine - Pyridine - Dicarboxylic acid or derivatives - Heteroaromatic compound - Amino acid - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Alkylthiol - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Amine - Organooxygen compound - Organosulfur compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic 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