Compound Identification
SMILES
CCCC[C@@H](SC1=NC(CC(C)C)=NC2=C1C(=O)N(C)C(=O)N2C)C([O-])=O
InChIKey
InChIKey=DNSFTPNIXTYYEI-LLVKDONJSA-M
Formula
C18H25N4O4S
Mass
393.48
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
Thia fatty acids Alkylarylthioethers Pyrimidones Branched fatty acids Heterocyclic fatty acids Vinylogous thioesters Vinylogous amides Heteroaromatic compounds Ureas Carboxylic acid salts Lactams Sulfenyl compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl thioether - Medium-chain fatty acid - Branched fatty acid - Heterocyclic fatty acid - Pyrimidone - Alkylarylthioether - Thia fatty acid - Pyrimidine - Vinylogous thioester - Heteroaromatic compound - Vinylogous amide - Carboxylic acid salt - Lactam - Urea - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Thioether - Sulfenyl compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organic anion - Aromatic heteropolycyclic 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