Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=KJJYKBIEKQJXHM-UHFFFAOYSA-K

Formula

C25H37N7Na3O18P3S

Mass

917.55

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