Structure Information
Structure

Compound Identification

SMILES

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(O)[C@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N

InChIKey

InChIKey=CABVTRNMFUVUDM-OAKDPYFCSA-N

Formula

C27H44N7O20P3S

Mass

911.66

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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

Aromatic heteropolycyclic compounds

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 - Pentose monosaccharide - Organic pyrophosphate - 6-aminopurine - Monosaccharide phosphate - Purine - Imidazopyrimidine - Aminopyrimidine - Monoalkyl phosphate - Monosaccharide - N-acyl-amine - Pyrimidine - Fatty amide - N-substituted imidazole - Organic phosphoric acid derivative - Alkyl phosphate - Imidolactam - Phosphoric acid ester - Azole - Imidazole - Tertiary alcohol - Heteroaromatic compound - Oxolane - Carbothioic s-ester - Carboxamide group - Amino acid - Thiocarboxylic acid ester - Amino acid or derivatives - Secondary alcohol - Secondary carboxylic acid amide - Oxacycle - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Thiocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Amine - Organosulfur compound - Primary amine - Organic oxide - 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

LIPIDMAPS (LMFA07050028) : Fatty acyl CoAs

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