Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C)(C(O)C1OP([O-])([O-])=O)N1C=NC2=C(N)N=CN=C12

InChIKey

InChIKey=XTEYONNNQURLOI-UHFFFAOYSA-J

Formula

C42H70N7O18P3S

Mass

1086.04

Export to:

JSON SDF CSV

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 - 3-oxo-acyl CoAs

Direct Parent

Long-chain 3-oxoacyl 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 - C-glycosyl compound - Glycosyl compound - Organic pyrophosphate - Monosaccharide phosphate - 6-aminopurine - Imidazopyrimidine - Purine - Monoalkyl phosphate - Aminopyrimidine - Imidolactam - Organic phosphoric acid derivative - N-substituted imidazole - Monosaccharide - Phosphoric acid ester - Alkyl phosphate - 1,3-dicarbonyl compound - Pyrimidine - Imidazole - Heteroaromatic compound - Oxolane - Azole - Amino acid or derivatives - Carbothioic s-ester - Ketone - Secondary alcohol - Thiocarboxylic acid ester - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Oxacycle - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Organic nitrogen compound - Amine - Carbonyl group - Alcohol - Hydrocarbon derivative - Primary amine - Organic oxide - 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 long-chain 3-oxoacyl coas. These are organic compounds containing a coenzyme A derivative, which is 3-oxo acylated long aliphatic chain of 13 to 21 carbon atoms.

External Descriptors

Not available

Previous Back Next