Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(CC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)C=C1

InChIKey

InChIKey=WCGHVCLUQYHNNZ-IGYWURMESA-N

Formula

C33H50N7O18P3S

Mass

957.78

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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

Acyl CoAs - 3-hydroxyacyl CoAs

Direct Parent

(R)-3-hydroxyacyl 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 phosphate - Ribonucleoside 3'-phosphate - Pentose-5-phosphate - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Monoalkyl phosphate - Toluene - Aminopyrimidine - Fatty amide - Benzenoid - Alkyl phosphate - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Monocyclic benzene moiety - Imidolactam - Phosphoric acid ester - Pyrimidine - Oxolane - Azole - Imidazole - Heteroaromatic compound - Thiocarboxylic acid ester - Carbothioic s-ester - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Secondary alcohol - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Primary amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as (r)-3-hydroxyacyl coas. These are organic compounds containing a (R)-3-hydroxyl acylated coenzyme A derivative.

External Descriptors

Not available

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