Compound Identification
SMILES
NC1=NC(SCC([O-])=O)=C(C#N)C2(CCCC2)C1C#N
InChIKey
InChIKey=BBLGQOUZJKSSIR-UHFFFAOYSA-M
Formula
C13H13N4O2S
Mass
289.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acids and conjugates
- Level 5 Heterocyclic fatty acids
-
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
Heterocyclic fatty acids
Alternative Parents
Imidolactams Ketene acetals Carboxylic acid salts Sulfenyl compounds Nitriles Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Carboxamidines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines Organic anions
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Heterocyclic fatty acid - Imidolactam - Carboxylic acid salt - Ketene acetal or derivatives - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Amidine - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Carboximidamide - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Cyanide - Hydrocarbon derivative - Organic anion - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as heterocyclic fatty acids. These are fatty acids containing a heterocyclic attached to the acyl chain.
External Descriptors
Not available