Structure Information
Structure

Compound Identification

SMILES

CC(C)(COP([O-])(=O)OP([O-])(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1C2CCC(=O)C2(C)CCC1O

InChIKey

InChIKey=OGAHROYMEOBORV-UHFFFAOYSA-J

Formula

C34H48N7O20P3S

Mass

999.77

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

META CYC (CPD-13758) : a small molecule

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