Compound Identification
SMILES
COCCOCN1N=NC(=N1)C(=C)\C=C\[C@H](O)CC(=O)[C@H](C(O)=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=APKHMKLFUZCKTA-AJMGZJKCSA-N
Formula
C20H23FN4O6
Mass
434.424
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
Beta-keto acids and derivatives Hydroxy fatty acids Fluorobenzenes Heterocyclic fatty acids Halogenated fatty acids Unsaturated fatty acids 1,3-dicarbonyl compounds Aryl fluorides Beta-hydroxy ketones Tetrazoles Heteroaromatic compounds Secondary alcohols Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkyl ethers Organofluorides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Medium-chain keto acid - Beta-keto acid - Fluorobenzene - Halobenzene - Halogenated fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Beta-hydroxy ketone - Fatty acyl - Unsaturated fatty acid - 1,3-dicarbonyl compound - Benzenoid - Tetrazole - Heteroaromatic compound - Azole - Secondary alcohol - Ketone - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Dialkyl ether - Organohalogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organofluoride - Alcohol - Organic nitrogen compound - Aromatic heteromonocyclic 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