Structure Information
Structure

Compound Identification

SMILES

CC(C)=CCCC(O)(CC([O-])=O)CC(=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

InChIKey

InChIKey=ATTJZXQHBIJXLV-QECJPOQRSA-M

Formula

C32H51N7O20P3S

Mass

978.77

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