Structure Information
Structure

Compound Identification

SMILES

CCCCC\C=C/C\C=C/CCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(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)n1cnc2c(N)ncnc12

InChIKey

InChIKey=ICMPOMMDSLXBOC-WGPZAAHJSA-N

Formula

C39H66N7O18P3S

Mass

1045.97

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