Compound Identification
SMILES
CC1(OC1C(O)CCCCCCCCCCCC(O)=O)C#N
InChIKey
InChIKey=IBHZNTBLESBDJA-UHFFFAOYSA-N
Formula
C17H29NO4
Mass
311.422
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
Hydroxy fatty acids Epoxy fatty acids Amino fatty acids Secondary alcohols Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Long-chain fatty acid - Amino fatty acid - Epoxy fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Alcohol - Aliphatic 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