Compound Identification
SMILES
CCCCCCCCCC1=CN=C(N=C1)C1=CC=C(CCC(Cl)C(C)C(O)=O)C=C1
InChIKey
InChIKey=XHQZGDNDOUMPLV-UHFFFAOYSA-N
Formula
C25H35ClN2O2
Mass
431.02
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
Methyl-branched fatty acids Heterocyclic fatty acids Halogenated fatty acids Pyrimidines and pyrimidine derivatives Benzene and substituted derivatives Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Medium-chain fatty acid - Branched fatty acid - Halogenated fatty acid - Heterocyclic fatty acid - Methyl-branched fatty acid - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl chloride - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen 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