Compound Identification
SMILES
CC1=C(CC(P(=O)=O)P(=O)=O)[SH+]C(C(O)CCCC(O)=O)N1CC1=CN=C(C)N=C1N
InChIKey
InChIKey=SWRSCHMEMBWEPN-UHFFFAOYSA-O
Formula
C17H25N4O7P2S
Mass
491.41
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
Aminopyrimidines and derivatives Hydroxy fatty acids Imidolactams Thiazolines Heteroaromatic compounds Secondary alcohols Amino acids Alkylthiols Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Enamines Primary amines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organophosphorus compounds Organopnictogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Medium-chain fatty acid - Aminopyrimidine - Hydroxy fatty acid - Pyrimidine - Imidolactam - Heteroaromatic compound - Meta-thiazoline - Amino acid or derivatives - Amino acid - Secondary alcohol - Alkylthiol - Carboxylic acid derivative - Carboxylic acid - Enamine - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Amine - Alcohol - Organophosphorus compound - Primary amine - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic cation - Aromatic heteromonocyclic 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