Structure Information
Structure

Compound Identification

SMILES

O.O.O.[Na+].[Na+].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=YXPWBFOOMJTKME-MGMVQEOYSA-L

Formula

C27H48N7Na2O23P3S

Mass

1009.67

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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 3',5'-bisphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside diphosphate - Ribonucleoside 3'-phosphate - Pentose phosphate - Pentose-5-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 - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Imidolactam - Phosphoric acid ester - Alkyl phosphate - Pyrimidine - Tertiary alcohol - Azole - Oxolane - Imidazole - Heteroaromatic compound - Thiocarboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Amino acid - Carboxamide group - Carbothioic s-ester - Amino acid or derivatives - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Sulfenyl compound - Oxacycle - Thiocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organic sodium salt - Organic oxide - Alcohol - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Primary amine - Organic zwitterion - Organic salt - 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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