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=C(Cl)C=C1

InChIKey

InChIKey=DEPSOKCZMQPCBI-VBDPZXIHSA-N

Formula

C28H39ClN7O17P3S

Mass

906.08

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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 - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Thiobenzoic acid or derivatives - Imidazopyrimidine - Purine - Benzoyl - Chlorobenzene - Aminopyrimidine - Halobenzene - Monoalkyl phosphate - Pyrimidine - Imidolactam - Monocyclic benzene moiety - Monosaccharide - N-acyl-amine - Phosphoric acid ester - N-substituted imidazole - Organic phosphoric acid derivative - Benzenoid - Fatty amide - Alkyl phosphate - Aryl halide - Aryl chloride - Tetrahydrofuran - Imidazole - Azole - Heteroaromatic compound - Carbothioic s-ester - Thiocarboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Secondary alcohol - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Thiocarboxylic acid or derivatives - Sulfenyl compound - Primary amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Alcohol - Organohalogen compound - Amine - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - 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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