Compound Identification
SMILES
NC1=NC2=NC=C(CNC3=CC=C(C=C3)C(=O)NC(CCCCCCCCCCC(O)=O)C(O)=O)N=C2C(N)=N1
InChIKey
InChIKey=ORELVHQVZHADOI-UHFFFAOYSA-N
Formula
C27H36N8O5
Mass
552.636
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
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Subclass
Fatty acids and conjugates
- Level 5 Long-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
Long-chain fatty acids
Alternative Parents
N-acyl-alpha amino acids Hippuric acids Pteridines and derivatives Aminobenzamides Benzoyl derivatives Aniline and substituted anilines Phenylalkylamines Secondary alkylarylamines Amino fatty acids Heterocyclic fatty acids Aminopyrimidines and derivatives Pyrazines Imidolactams Dicarboxylic acids and derivatives Heteroaromatic compounds Amino acids Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Primary amines Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Long-chain fatty acid - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Pteridine - Benzamide - Benzoic acid or derivatives - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Amino fatty acid - Aminopyrimidine - Aralkylamine - Heterocyclic fatty acid - Imidolactam - Pyrimidine - Pyrazine - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Secondary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Primary amine - Amine - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
External Descriptors
Not available