Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=ATTJZXQHBIJXLV-UHFFFAOYSA-N

Formula

C32H52N7O20P3S

Mass

979.78

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