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=C(O)C2=CC=CC=C2C(O)=C1

InChIKey

InChIKey=PYTINLGPKDJURZ-UHFFFAOYSA-J

Formula

C32H38N7O19P3S

Mass

949.67

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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-5-phosphate - Pentose phosphate - Ribonucleoside 3'-phosphate - 2-naphthalenecarboxylic acid or derivatives - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 1-naphthol - 6-aminopurine - Salicylic acid or derivatives - Organic pyrophosphate - Naphthalene - Monosaccharide phosphate - Thiobenzoic acid or derivatives - Imidazopyrimidine - Purine - Hydroquinone - Aminopyrimidine - 1-hydroxy-2-unsubstituted benzenoid - N-substituted imidazole - Fatty amide - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - N-acyl-amine - Benzenoid - Monosaccharide - Imidolactam - Azole - Heteroaromatic compound - Imidazole - Vinylogous acid - Tetrahydrofuran - Secondary carboxylic acid amide - Secondary alcohol - Thiocarboxylic acid ester - Carboxamide group - Carbothioic s-ester - Amino acid or derivatives - Thiocarboxylic acid or derivatives - Sulfenyl compound - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Oxacycle - Primary amine - Organosulfur compound - Alcohol - Hydrocarbon derivative - Organic oxide - Amine - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen 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-9925) : a small molecule

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