Structure Information
Structure

Compound Identification

SMILES

CCC=CCC1C(CC([O-])=NC(C(C)CC)C(=O)OC2OC(C(O)C(O)C2O)C(O)=O)CCC1=O

InChIKey

InChIKey=CMJIOMGSUFTXNK-UHFFFAOYSA-M

Formula

C24H36NO10

Mass

498.55

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

O-glucuronide - 1-o-glucuronide - Isoleucine or derivatives - Alpha-amino acid ester - Glucuronic acid or derivatives - N-acyl-alpha amino acid or derivatives - Beta-hydroxy acid - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Oxane - Monosaccharide - Hydroxy acid - Pyran - Secondary alcohol - Cyclic ketone - Ketone - Carboxylic acid ester - Acetal - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Polyol - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Alcohol - Organooxygen compound - Organonitrogen compound - Organic anion - Aliphatic heteromonocyclic 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

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