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)CCCCCC([O-])=O

InChIKey

InChIKey=LYCRXMTYUZDUGA-UHFFFAOYSA-I

Formula

C28H41N7O19P3S

Mass

904.65

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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

2,3,4-saturated fatty 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 - Medium-chain fatty acid - Aminopyrimidine - Hydroxy fatty acid - Fatty acid - Fatty amide - Imidolactam - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Alkyl phosphate - Phosphoric acid ester - Pyrimidine - Tetrahydrofuran - Imidazole - Heteroaromatic compound - Azole - Thiocarboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Amino acid - Carbothioic s-ester - Amino acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Thiocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Sulfenyl compound - Organosulfur compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Primary amine - Alcohol - Amine - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Organic anion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2,3,4-saturated fatty acyl coas. These are acyl-CoAs carrying a 2,3,4-saturated fatty acyl chain.

External Descriptors

META CYC (CPD-558) : a small molecule

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