Structure Information
Structure

Compound Identification

SMILES

C[C@](O)(CC(O)=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C)(C(O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N

InChIKey

InChIKey=SDHZGJKHVFQWTB-SCXDBHTBSA-N

Formula

C28H46N7O20P3S

Mass

925.69

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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

3-hydroxy-3-alkylglutaryl CoAs

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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

Description

This compound belongs to the class of organic compounds known as 3-hydroxy-3-alkylglutaryl coas. These are alpha, omega dicarboxyacyl-CoA that result from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of 3-hydroxy-3-alkylglutaric acid.

External Descriptors

Not available

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