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)CC1=CC=CC=C1

InChIKey

InChIKey=ZIGIFDRJFZYEEQ-UHFFFAOYSA-J

Formula

C29H38N7O17P3S

Mass

881.64

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

META CYC (CPD-207) : a CoA derivative

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