Structure Information
Structure

Compound Identification

SMILES

CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)C1=CC=CC=C1F

InChIKey

InChIKey=JJZDBMQDENLSBH-VBDPZXIHSA-N

Formula

C28H39FN7O17P3S

Mass

889.63

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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 - Ribonucleoside 3'-phosphate - Pentose phosphate - Pentose-5-phosphate - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Thiobenzoic acid or derivatives - Purine - Imidazopyrimidine - Benzoyl - Aminopyrimidine - Halobenzene - Monoalkyl phosphate - Fluorobenzene - N-substituted imidazole - Fatty amide - Organic phosphoric acid derivative - N-acyl-amine - Imidolactam - Pyrimidine - Benzenoid - Alkyl phosphate - Aryl fluoride - Phosphoric acid ester - Monosaccharide - Aryl halide - Monocyclic benzene moiety - Azole - Imidazole - Vinylogous halide - Tetrahydrofuran - Heteroaromatic compound - Carboxamide group - Amino acid or derivatives - Secondary alcohol - Secondary carboxylic acid amide - Carbothioic s-ester - Thiocarboxylic acid ester - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Amine - Carbonyl group - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Primary amine - Organic oxygen compound - Organohalogen compound - Alcohol - Organopnictogen compound - Organic oxide - 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

Not available

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