Compound Identification
SMILES
COC(=O)NC1=NC2=C(NCCCCCC(O)=O)N=C(N)N=C2O1
InChIKey
InChIKey=GVSOUCJQYMUGIN-UHFFFAOYSA-N
Formula
C13H18N6O5
Mass
338.324
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
Amino fatty acids Aminopyrimidines and derivatives Heterocyclic fatty acids Imidolactams Oxazoles Carbamate esters Heteroaromatic compounds Amino acids Oxacyclic compounds Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Primary amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Medium-chain fatty acid - Amino fatty acid - Aminopyrimidine - Heterocyclic fatty acid - Pyrimidine - Imidolactam - Azole - Heteroaromatic compound - Oxazole - Carbamic acid ester - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - 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