Structure Information
Structure

Compound Identification

SMILES

CC\C=C/CC[C@@H](O)C\C=C/CCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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

InChIKey

InChIKey=XTSCLYCOOJHTTR-KTFRUSDTSA-J

Formula

C41H66N7O19P3S

Mass

1085.99

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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 - (R)-3-hydroxyacyl CoAs

Direct Parent

Long-chain (3R)-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 - Organic pyrophosphate - Monosaccharide phosphate - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - Organic phosphoric acid derivative - Monosaccharide - Imidolactam - N-acyl-amine - Fatty amide - Phosphoric acid ester - Alkyl phosphate - N-substituted imidazole - Pyrimidine - Heteroaromatic compound - Azole - Oxolane - Imidazole - Thiocarboxylic acid ester - Amino acid or derivatives - Carboxamide group - Carbothioic s-ester - Secondary alcohol - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Organic oxide - Organic nitrogen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Alcohol - Amine - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic anion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as long-chain (3r)-3-hydroxyacyl coas. These are organic compounds containing a (R)-3-hydroxyl acylated coenzyme A derivative, to which the acyl chain carries between 13 and 21 carbon atoms.

External Descriptors

Not available

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