Compound Identification
SMILES
CC1=C(OCC2=CC=CC=C2)C(=O)C=CN1CCCCCC(O)=O
InChIKey
InChIKey=PNKRCBZCUWEUCW-UHFFFAOYSA-N
Formula
C19H23NO4
Mass
329.396
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acids and conjugates
- Level 5 Medium-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
Medium-chain fatty acids
Alternative Parents
Methylpyridines Heterocyclic fatty acids Dihydropyridines Amino fatty acids Alkyl aryl ethers Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Cyclic ketones Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Medium-chain fatty acid - Alkyl aryl ether - Amino fatty acid - Methylpyridine - Dihydropyridine - Heterocyclic fatty acid - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Cyclic ketone - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
External Descriptors
Not available