Structure Information
Structure

Compound Identification

SMILES

CNc1ccccc1C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)n1cnc2c(N)ncnc12

InChIKey

InChIKey=DYCZFHXLKCLDQL-UHFFFAOYSA-J

Formula

C29H39N8O17P3S

Mass

896.65

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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 diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Pentose phosphate - Pentose-5-phosphate - Ribonucleoside 3'-phosphate - N-glycosyl compound - Glycosyl compound - Beta amino acid or derivatives - Monosaccharide phosphate - Aminobenzoic acid or derivatives - 6-aminopurine - Organic pyrophosphate - Imidazopyrimidine - Purine - Thiobenzoic acid or derivatives - Benzoic acid or derivatives - Phenylalkylamine - Aniline or substituted anilines - Benzoyl - Aminopyrimidine - Secondary aliphatic/aromatic amine - Alkyl phosphate - Monocyclic benzene moiety - Phosphoric acid ester - Benzenoid - Pyrimidine - N-acyl-amine - Imidolactam - Monosaccharide - Fatty amide - N-substituted imidazole - Organic phosphoric acid derivative - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Tetrahydrofuran - Thiocarboxylic acid ester - Carbothioic s-ester - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Thiocarboxylic acid or derivatives - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Secondary amine - Organic nitrogen compound - Alcohol - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - 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

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