Compound Identification
SMILES
OC(=O)CC=CCC(=O)CC(=O)SCCNC(=O)C=C
InChIKey
InChIKey=BDHCBWDWSRGEEB-UHFFFAOYSA-N
Formula
C13H17NO5S
Mass
299.34
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
-
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
Fatty acyl thioesters Unsaturated fatty acids 1,3-dicarbonyl compounds Acrylic acids and derivatives Thioesters Secondary carboxylic acid amides Ketones Carbothioic S-esters Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Medium-chain fatty acid - Fatty acyl thioester - Unsaturated fatty acid - 1,3-dicarbonyl compound - Acrylic acid or derivatives - Carboxamide group - Ketone - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Carbothioic s-ester - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Sulfenyl compound - Carboxylic acid - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic 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