Compound Identification
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)[C@H](OC(=O)[C@@H](N)CS)C(=O)CCCCCCCCCCCCCCC
InChIKey
InChIKey=BCPJVEOYSRTUDI-IVTWRSIPSA-N
Formula
C54H103NO7S
Mass
910.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acid esters
-
Level 5
Wax esters
-
Level 6
Wax diesters
- Level 7 Type 2 wax diesters
-
Level 6
Wax diesters
-
Level 5
Wax esters
-
Subclass
Fatty acid esters
-
Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acid esters
Intermediate Tree Nodes
Wax esters - Wax diesters
Direct Parent
Type 2 wax diesters
Alternative Parents
Alpha amino acid esters Cysteine and derivatives Tricarboxylic acids and derivatives Alpha-acyloxy ketones Monosaccharides Ketones Carboxylic acid esters Alkylthiols Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Type 2 wax diester skeleton - Alpha-amino acid ester - Cysteine or derivatives - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Alpha-acyloxy ketone - Monosaccharide - Amino acid or derivatives - Carboxylic acid ester - Ketone - Alkylthiol - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Organosulfur compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as type 2 wax diesters. These are waxes based on alkane-1,2-diols (usually C12-C23) esterified with C10-C20 acids at the two hydroxyl groups.
External Descriptors
Not available