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=GXYIOJONRQGUCV-UHFFFAOYSA-J

Formula

C34H50N7O20P3S

Mass

1001.79

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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 - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Imidazopyrimidine - Purine - Aminopyrimidine - Imidolactam - Alkyl phosphate - Fatty amide - Monosaccharide - N-acyl-amine - N-substituted imidazole - Pyrimidine - Organic phosphoric acid derivative - Phosphoric acid ester - Azole - Cyclic alcohol - Imidazole - Tetrahydrofuran - Heteroaromatic compound - Carboxamide group - Thiocarboxylic acid ester - Ketone - Carbothioic s-ester - Secondary alcohol - Secondary carboxylic acid amide - Amino acid or derivatives - Oxacycle - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Thiocarboxylic acid or derivatives - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Carbonyl group - Primary amine - Alcohol - Amine - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - 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-13757) : a small molecule

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