Structure Information
Structure

Compound Identification

SMILES

CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1=CC=CC=C1

InChIKey

InChIKey=NHDPIYICCBKNNJ-FUEUKBNZSA-J

Formula

C30H38N7O18P3S

Mass

909.65

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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 - Alkyl-phenylketone - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Imidazopyrimidine - Phenylketone - Purine - Aryl alkyl ketone - Aryl ketone - Benzoyl - Aminopyrimidine - Fatty amide - Imidolactam - Benzenoid - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Alkyl phosphate - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Phosphoric acid ester - Pyrimidine - Oxolane - Azole - Imidazole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Secondary alcohol - Amino acid or derivatives - Carbothioic s-ester - Ketone - Thiocarboxylic acid ester - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Hydrocarbon derivative - Primary amine - Organic nitrogen compound - Alcohol - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - 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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