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@@H](O)C(=O)NCCC(=O)NCCSCC(=O)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=JKZHFXZXNBMAGG-VXAHOBLNSA-N

Formula

C29H41ClN7O17P3S

Mass

920.11

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

S-alkyl-CoAs

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

S-alkyl-CoAs

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coenzyme a or derivatives - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Ribonucleoside 3'-phosphate - Pentose-5-phosphate - Pentose phosphate - Alkyl-phenylketone - Beta amino acid or derivatives - N-glycosyl compound - Glycosyl compound - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - 6-aminopurine - Imidazopyrimidine - Purine - Phenylketone - Aryl alkyl ketone - Aryl ketone - Benzoyl - Halobenzene - Monoalkyl phosphate - Aminopyrimidine - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Imidolactam - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Benzenoid - Alkyl phosphate - Phosphoric acid ester - Pyrimidine - Azole - Imidazole - Oxolane - Heteroaromatic compound - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Ketone - Amino acid or derivatives - Thioether - Dialkylthioether - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Amine - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Primary amine - Alcohol - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as s-alkyl-coas. These are alkyl sulfides consisting of coenzyme A that carries an S-alkyl substituent.

External Descriptors

Not available

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