Structure Information
Structure

Compound Identification

SMILES

[Na+].[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=WPQBDHRBYCRXIB-QZPVDJDXSA-K

Formula

C27H41N7Na3O20P3S

Mass

977.6

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