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)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](O)CC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O

InChIKey

InChIKey=JFQGNCZAHDITHX-ALLXGBFRSA-N

Formula

C41H64N7O22P3S

Mass

1131.97

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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 - Leukotriene - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Hydroxyeicosatetraenoic acid - Eicosanoid - Pentose phosphate - Pentose-5-phosphate - Ribonucleoside 3'-phosphate - Long-chain fatty acid - Glycosyl compound - Beta amino acid or derivatives - N-glycosyl compound - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - Hydroxy fatty acid - Monoalkyl phosphate - Thia fatty acid - Pyrimidine - Fatty amide - Unsaturated fatty acid - Fatty acid - Monosaccharide - N-acyl-amine - Phosphoric acid ester - Alkyl phosphate - N-substituted imidazole - Organic phosphoric acid derivative - Imidolactam - Azole - Heteroaromatic compound - Imidazole - Oxolane - Carbothioic s-ester - Amino acid or derivatives - Carboxamide group - Thiocarboxylic acid ester - Amino acid - Secondary carboxylic acid amide - Secondary alcohol - Thiocarboxylic acid or derivatives - Polyol - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Sulfenyl compound - Oxacycle - Azacycle - Organopnictogen compound - Organosulfur compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Amine - Organic oxygen compound - Carbonyl group - 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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