Structure Information
Structure

Compound Identification

SMILES

CCCCCC(=O)C(Br)C(=O)SCCNC(=O)CCNC(=O)C(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=KLWODICKEMLOJE-RNDGGQLMSA-N

Formula

C29H47BrN7O18P3S

Mass

986.61

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