Compound Identification
SMILES
CCOC1=CC=C(C=C1)C(=O)CC[NH2+]C(C(C)CC)C([O-])=O
InChIKey
InChIKey=QOEQXOGESSAQMR-UHFFFAOYSA-N
Formula
C17H25NO4
Mass
307.39
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
Alkyl-phenylketones Alpha amino acids Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Beta-amino ketones Quaternary ammonium salts Carboxylic acid salts Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organic zwitterions Hydrocarbon derivatives Organic salts Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Isoleucine or derivatives - Alkyl-phenylketone - Alpha-amino acid - Phenylketone - Phenol ether - Aryl ketone - Aryl alkyl ketone - Benzoyl - Phenoxy compound - Alkyl aryl ether - Benzenoid - Beta-aminoketone - Monocyclic benzene moiety - Quaternary ammonium salt - Ketone - Carboxylic acid salt - Monocarboxylic acid or derivatives - Ether - Secondary aliphatic amine - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - 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