Structure Information
Structure

Compound Identification

SMILES

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.C[C@](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=OOMYUHQMTFHWQL-WADCVMFXSA-N

Formula

C50H82N14O37P6S2

Mass

1721.23

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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 - 3-hydroxy-3-alkylglutaryl CoAs

Direct Parent

(S)-3-hydroxy-3-alkylglutaryl CoAs

Alternative Parents

Molecular Framework

Not available

Substituents

Coenzyme a or derivatives - Purine ribonucleoside 3',5'-bisphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside diphosphate - Pentose phosphate - Ribonucleoside 3'-phosphate - Pentose-5-phosphate - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Imidazopyrimidine - Purine - Aminopyrimidine - Monoalkyl phosphate - Alkyl phosphate - Imidolactam - Fatty amide - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Tertiary alcohol - Oxolane - Heteroaromatic compound - Imidazole - Azole - Secondary carboxylic acid amide - Secondary alcohol - Amino acid - Carboxamide group - Carbothioic s-ester - Thiocarboxylic acid ester - Amino acid or derivatives - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Thiocarboxylic acid or derivatives - Oxacycle - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Primary amine - Organic nitrogen compound - Organic oxide - Alcohol - Amine - Organosulfur compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as (s)-3-hydroxy-3-alkylglutaryl coas. These are 3-hydroxy-3-alkylglutaryl-CoAs where the 3-hydroxy-3-alkylglutaryl component has (S)-configuration.

External Descriptors

Not available

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