Structure Information
Structure

Compound Identification

SMILES

CCCCCC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=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)N1C=NC2=C1N=CN=C2N

InChIKey

InChIKey=DWIUTCMTXCBUNH-YLJNVRNNSA-N

Formula

C49H68N7O28P3S

Mass

1328.09

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