Compound Identification
SMILES
[O-][N+]([O-])=O.CC(=O)CC(O)=O
InChIKey
InChIKey=HLRRKWRIEGASBL-UHFFFAOYSA-N
Formula
C4H6NO6
Mass
164.094
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acids and conjugates
- Level 5 Nitro 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
Nitro fatty acids
Alternative Parents
Short-chain keto acids and derivatives Beta-keto acids and derivatives Beta-hydroxy ketones 1,3-dicarbonyl compounds Organic nitrates Organic nitro compounds Organic nitric acids Monocarboxylic acids and derivatives Carboxylic acids Organic salts Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aliphatic acyclic compounds
Substituents
Nitro fatty acid - Beta-keto acid - Short-chain keto acid - Beta-hydroxy ketone - Keto acid - 1,3-dicarbonyl compound - Organic nitrate - Ketone - Organic nitro compound - Organic nitric acid - Organic nitric acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic salt - Organooxygen compound - Organic cation - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as nitro fatty acids. These are fatty acids containing a nitro group.
External Descriptors
Not available