Structure Information
Structure

Compound Identification

SMILES

CC\C(CC\C=C(/C)CCC(=O)C[C@H](O)[C@@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)C(=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)=C/[C@@H](C)C\C=C\[C@@H](C)C[C@@H](C)C(C)=O

InChIKey

InChIKey=ISCOHRXMKJSXGT-DOIMXYIESA-N

Formula

C56H94N7O22P3S

Mass

1342.38

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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

Very-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 - N-glycosyl compound - Glycosyl compound - Beta amino acid or derivatives - Monosaccharide phosphate - Monoterpenoid - Bicyclic monoterpenoid - Organic pyrophosphate - 6-aminopurine - Pentose monosaccharide - Aromatic monoterpenoid - Imidazopyrimidine - Purine - Monoalkyl phosphate - Aminopyrimidine - Beta-hydroxy ketone - Imidolactam - Monosaccharide - Alkyl phosphate - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Fatty amide - Pyrimidine - Oxolane - Imidazole - Azole - Heteroaromatic compound - Carboxamide group - Ketone - Secondary carboxylic acid amide - Amino acid or derivatives - Secondary alcohol - Carbothioic s-ester - Thiocarboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Polyol - Carbonyl group - Organic oxygen compound - Amine - Alcohol - Organic nitrogen compound - Organic oxide - Primary amine - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as very-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 at least 22 carbon atoms.

External Descriptors

Not available

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