Compound Identification
SMILES
C[N+](C)(C)C[C@H](O)CC([O-])=O.CCCCCCCCCCCCCCS(O)(=O)=O
InChIKey
InChIKey=QDVLJRSSVGVUMW-FCXZQVPUSA-N
Formula
C21H45NO6S
Mass
439.65
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
-
Subclass
Quaternary ammonium salts
- Level 5 Carnitines
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Subclass
Quaternary ammonium salts
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Class
Organonitrogen compounds
-
Superclass
Organic nitrogen compounds
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Quaternary ammonium salts
Intermediate Tree Nodes
Not available
Direct Parent
Carnitines
Alternative Parents
Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Fatty acids and conjugates Tetraalkylammonium salts Sulfonyls Alkanesulfonic acids Organosulfonic acids 1,2-aminoalcohols Secondary alcohols Carboxylic acid salts Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Organic salts Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Carnitine - Beta-hydroxy acid - Short-chain hydroxy acid - Hydroxy acid - Fatty acid - Tetraalkylammonium salt - Organic sulfonic acid or derivatives - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - 1,2-aminoalcohol - Carboxylic acid salt - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Amine - Organic salt - Organic cation - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as carnitines. These are organic compounds containing the quaternary ammonium compound carnitine.
External Descriptors
Not available