Structure Information
Structure

Compound Identification

SMILES

CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1OC(C)(C(O)C1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N

InChIKey

InChIKey=DKBWVSOHYZTOFX-UHFFFAOYSA-J

Formula

C26H38N7O18P3S

Mass

861.6

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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

Direct Parent

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

Description

This compound belongs to the class of organic compounds known as 3-oxo-acyl coas. These are organic compounds containing a 3-oxo acylated coenzyme A derivative.

External Descriptors

Not available

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