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)C1=CC=CC=C1N

InChIKey

InChIKey=XLURBJBQJZCJHJ-UHFFFAOYSA-J

Formula

C28H37N8O17P3S

Mass

882.63

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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

Not available

Direct Parent

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 - N-glycosyl compound - Glycosyl compound - Beta amino acid or derivatives - Monosaccharide phosphate - Aminobenzoic acid or derivatives - Organic pyrophosphate - 6-aminopurine - Imidazopyrimidine - Benzoic acid or derivatives - Thiobenzoic acid or derivatives - Purine - Aniline or substituted anilines - Benzoyl - Aminopyrimidine - Monocyclic benzene moiety - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Imidolactam - Benzenoid - Fatty amide - Phosphoric acid ester - Alkyl phosphate - Pyrimidine - Imidazole - Heteroaromatic compound - Azole - Vinylogous amide - Tetrahydrofuran - Amino acid or derivatives - Carboxamide group - Carbothioic s-ester - Thiocarboxylic acid ester - Secondary alcohol - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Primary amine - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic anion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as acyl coas. These are organic compounds containing a coenzyme A substructure linked to an acyl chain.

External Descriptors

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