Compound Identification
SMILES
[Na+].CC[C@H](C)[C@H](N)C(O)=O.NCCC[C@H](N)C(O)=O.[O-]C(=O)CCCC1=CC=CC=C1
InChIKey
InChIKey=CCLDHIMYIQJOOR-QWHCGRIQSA-M
Formula
C21H36N3NaO6
Mass
449.524
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Isoleucine and derivatives
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Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Isoleucine and derivatives
Alternative Parents
L-alpha-amino acids Methyl-branched fatty acids Benzene and substituted derivatives Carboxylic acid salts Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic sodium salts Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Not available
Substituents
Isoleucine or derivatives - Alpha-amino acid - L-alpha-amino acid - Branched fatty acid - Methyl-branched fatty acid - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Fatty acid - Amino acid - Carboxylic acid salt - Carboxylic acid - Monocarboxylic acid or derivatives - Organic alkali metal salt - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic sodium salt - Organic salt - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as isoleucine and derivatives. These are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available