Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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