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
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
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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
O-glucuronides Alpha amino acid esters N-acyl-alpha amino acids and derivatives Beta hydroxy acids and derivatives Fatty acid esters Pyrans Oxanes Dicarboxylic acids and derivatives Monosaccharides Secondary alcohols Carboxylic acid esters Cyclic ketones Acetals Polyols Oxacyclic compounds Carboximidic acids Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic anions
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