Compound Identification
SMILES
CC(O)(CC(=O)\C=C\CCNCC\C=C\C(=O)CC(C)(O)C(O)=O)C(O)=O
InChIKey
InChIKey=UASUHSRPEAXAKM-FCXRPNKRSA-N
Formula
C18H27NO8
Mass
385.413
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Keto acids and derivatives
Subclass
Medium-chain keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Medium-chain keto acids and derivatives
Alternative Parents
Gamma-keto acids and derivatives b'-hydroxy-alpha,beta-unsaturated ketones Methyl-branched fatty acids Hydroxy fatty acids Amino fatty acids Unsaturated fatty acids Dicarboxylic acids and derivatives Beta-hydroxy ketones Alpha hydroxy acids and derivatives Tertiary alcohols Enones Acryloyl compounds Amino acids Dialkylamines Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Medium-chain keto acid - Gamma-keto acid - B'-hydroxy-alpha,beta-unsaturated-ketone - Methyl-branched fatty acid - Hydroxy fatty acid - Branched fatty acid - Amino fatty acid - Fatty acyl - Unsaturated fatty acid - Hydroxy acid - Dicarboxylic acid or derivatives - Beta-hydroxy ketone - Alpha-hydroxy acid - Alpha,beta-unsaturated ketone - Tertiary alcohol - Enone - Acryloyl-group - Amino acid - Ketone - Amino acid or derivatives - Secondary amine - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain.
External Descriptors
Not available