Compound Identification
SMILES
OC(=CC=C(CC([O-])=O)C=O)C([O-])=O
InChIKey
InChIKey=NLXIEJRQAIHYPN-UHFFFAOYSA-L
Formula
C8H6O6
Mass
198.131
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
Hydroxy fatty acids Branched fatty acids Unsaturated fatty acids Dicarboxylic acids and derivatives Enals Enols Carboxylic acids Organic oxides Hydrocarbon derivatives Aldehydes Organic anions
Molecular Framework
Aliphatic acyclic compounds
Substituents
Medium-chain fatty acid - Branched fatty acid - Hydroxy fatty acid - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Alpha,beta-unsaturated aldehyde - Enal - Carboxylic acid derivative - Carboxylic acid - Enol - Hydrocarbon derivative - Aldehyde - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic anion - 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
META CYC (CPD-783) : a small molecule