Compound Identification
SMILES
CC(C)[C@H](CC(=O)C1=CN=CC=C1)C(C[C@H](C(O)=O)C(C)(C)C)=C=C
InChIKey
InChIKey=DYCRMIKRSDCGEW-ZWKOTPCHSA-N
Formula
C21H29NO3
Mass
343.467
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
Aryl alkyl ketones Methyl-branched fatty acids Heterocyclic fatty acids Amino fatty acids Unsaturated fatty acids Pyridines and derivatives Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl alkyl ketone - Aryl ketone - Medium-chain fatty acid - Methyl-branched fatty acid - Heterocyclic fatty acid - Branched fatty acid - Amino fatty acid - Unsaturated fatty acid - Pyridine - Heteroaromatic compound - Ketone - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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