Compound Identification
SMILES
CCCCCC(=O)\C=C\C1=C(CCCC(C)(O)CCC(O)=O)CCC1=O
InChIKey
InChIKey=JBBLUAHUZLTLMU-ZHACJKMWSA-N
Formula
C21H32O5
Mass
364.482
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
Methyl-branched fatty acids Hydroxy fatty acids Tertiary alcohols Enones Acryloyl compounds Cyclic ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Long-chain fatty acid - Branched fatty acid - Hydroxy fatty acid - Methyl-branched fatty acid - Tertiary alcohol - Enone - Acryloyl-group - Alpha,beta-unsaturated ketone - Cyclic ketone - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic homomonocyclic 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