Structure Information
Structure

Compound Identification

SMILES

C[C@H](CC[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@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

InChIKey

InChIKey=PXHZOQNODUPJKC-MTLGCJAASA-N

Formula

C48H80N7O21P3S

Mass

1216.18

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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 - Tetrahydroxy bile acid, alcohol, or derivatives - Steroidal glycoside - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - 24-hydroxysteroid - Hydroxy bile acid, alcohol, or derivatives - Cholane-skeleton - Bile acid, alcohol, or derivatives - 3-alpha-hydroxysteroid - 12-hydroxysteroid - 3-hydroxysteroid - 7-hydroxysteroid - Hydroxysteroid - Steroid - Pentose-5-phosphate - Ribonucleoside 3'-phosphate - Pentose phosphate - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Monoalkyl phosphate - Fatty amide - Alkyl phosphate - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Pyrimidine - Phosphoric acid ester - Imidolactam - Azole - Cyclic alcohol - Tetrahydrofuran - Imidazole - Heteroaromatic compound - Carbothioic s-ester - Carboxamide group - Amino acid or derivatives - Secondary alcohol - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Polyol - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Oxacycle - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Amine - Primary amine - Organic nitrogen compound - Alcohol - Organic oxide - Hydrocarbon derivative - 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

CHEBI:52050 : 3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oyl-CoA

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