Compound Identification
SMILES
NC1=NC(SCC(O)=O)=C(C#N)C2(CCCC2)C1C#N
InChIKey
InChIKey=BBLGQOUZJKSSIR-UHFFFAOYSA-N
Formula
C13H14N4O2S
Mass
290.34
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
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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
Heterocyclic fatty acids
Alternative Parents
Imidolactams Ketene acetals Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Nitriles Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Carboxamidines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Heterocyclic fatty acid - Imidolactam - Ketene acetal or derivatives - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Carboximidamide - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Amine - Cyanide - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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