Structure Information
Structure

Compound Identification

SMILES

[NH4+].[NH4+].[NH4+].[NH4+].[2H]C([2H])([2H])C(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=CCUDFXYQLRWJMW-WABZAOTBSA-O

Formula

C27H57N11O20P3S

Mass

983.81

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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 - Fatty amide - Alkyl phosphate - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Imidolactam - Imidazole - Tertiary alcohol - Azole - Oxolane - Quaternary ammonium salt - Heteroaromatic compound - Amino acid - Secondary alcohol - Carboxamide group - Secondary carboxylic acid amide - Carbothioic s-ester - Amino acid or derivatives - Thiocarboxylic acid ester - Monocarboxylic acid or derivatives - Sulfenyl compound - Carboxylic acid derivative - Organoheterocyclic compound - Thiocarboxylic acid or derivatives - Carboxylic acid - Azacycle - Oxacycle - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organic oxygen compound - Alcohol - Amine - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic cation - 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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