Structure Information
Structure

Compound Identification

SMILES

CC(C)CC(=O)OC(O)(CC([O-])=O)C[N+](C)(C)C.CC(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=DTEKXCRASGZTLC-AXADTWDNSA-N

Formula

C39H67N8O25P3S

Mass

1172.98

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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

Not available

Substituents

Coenzyme a or derivatives - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Ribonucleoside 3'-phosphate - Pentose-5-phosphate - Pentose phosphate - Acyl-carnitine - N-glycosyl compound - Glycosyl compound - Beta amino acid or derivatives - Carnitine - Pentose monosaccharide - Organic pyrophosphate - Monosaccharide phosphate - 6-aminopurine - Imidazopyrimidine - Purine - Fatty acid ester - Monoalkyl phosphate - Hydroxy fatty acid - Aminopyrimidine - Short-chain hydroxy acid - Branched fatty acid - N-substituted imidazole - Organic phosphoric acid derivative - N-acyl-amine - Monosaccharide - Imidolactam - Dicarboxylic acid or derivatives - Phosphoric acid ester - Pyrimidine - Hemiketal - Alkyl phosphate - Fatty amide - Heteroaromatic compound - Tetraalkylammonium salt - Azole - Tertiary alcohol - Imidazole - Oxolane - Quaternary ammonium salt - Amino acid or derivatives - Amino acid - Carboxamide group - Carboxylic acid ester - Carboxylic acid salt - Carbothioic s-ester - Thiocarboxylic acid ester - Hemiacetal - Secondary carboxylic acid amide - Secondary alcohol - Oxacycle - Thiocarboxylic acid or derivatives - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Amine - Organic nitrogen compound - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organic zwitterion - Primary amine - Organosulfur compound - Organooxygen compound - 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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