Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12

InChIKey

InChIKey=BGWXEUDZICRUBP-OBTPWFERSA-N

Formula

C49H88N7O18P3S

Mass

1188.26

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Fatty Acyls

Subclass

Fatty acyl thioesters

Intermediate Tree Nodes

Acyl CoAs - 3-oxo-acyl CoAs

Direct Parent

Very-long-chain 3-oxoacyl CoAs

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coenzyme a or derivatives - Purine ribonucleoside 3',5'-bisphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside diphosphate - Pentose phosphate - Pentose-5-phosphate - Ribonucleoside 3'-phosphate - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Monoalkyl phosphate - Imidolactam - Fatty amide - Alkyl phosphate - 1,3-dicarbonyl compound - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Heteroaromatic compound - Imidazole - Oxolane - Azole - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Thiocarboxylic acid ester - Ketone - Amino acid or derivatives - Carbothioic s-ester - Sulfenyl compound - Oxacycle - Organoheterocyclic compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organooxygen compound - Alcohol - Organic nitrogen compound - Amine - Organic oxygen compound - Carbonyl group - Primary amine - Organopnictogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as very-long-chain 3-oxoacyl coas. These are organic compounds containing a coenzyme A derivative, which is 3-oxo acylated long aliphatic chain of 22 carbon atoms or more.

External Descriptors

Not available

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