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@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N
InChIKey
InChIKey=CABVTRNMFUVUDM-VRHQGPGLSA-N
Formula
C27H44N7O20P3S
Mass
911.66
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acyl thioesters
-
Level 5
Acyl CoAs
-
Level 6
3-hydroxyacyl CoAs
- Level 7 3-hydroxy-3-alkylglutaryl CoAs
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Level 6
3-hydroxyacyl CoAs
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Level 5
Acyl CoAs
-
Subclass
Fatty acyl thioesters
-
Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
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
(R)-3-hydroxyacyl CoAs (S)-3-hydroxyacyl CoAs 2,3,4-saturated fatty acyl CoAs Coenzyme A and derivatives Purine ribonucleoside diphosphates Pentose phosphates Ribonucleoside 3'-phosphates Glycosylamines Beta amino acids and derivatives Monosaccharide phosphates Organic pyrophosphates 6-aminopurines Aminopyrimidines and derivatives Monoalkyl phosphates N-substituted imidazoles N-acyl amines Imidolactams Tertiary alcohols Heteroaromatic compounds Tetrahydrofurans Thioesters Amino acids Carbothioic S-esters Secondary carboxylic acid amides Secondary alcohols Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Primary amines Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
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 - Monoalkyl phosphate - Aminopyrimidine - Alkyl phosphate - Imidolactam - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Monosaccharide - Fatty amide - Pyrimidine - Phosphoric acid ester - Tetrahydrofuran - Tertiary alcohol - Imidazole - Heteroaromatic compound - Azole - Secondary alcohol - Thiocarboxylic acid ester - Amino acid - Carboxamide group - Amino acid or derivatives - Carbothioic s-ester - Secondary carboxylic acid amide - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Azacycle - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Primary amine - Hydrocarbon derivative - Carbonyl group - Organosulfur compound - Organopnictogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Alcohol - Amine - 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
CHEBI:15467 : 3-hydroxy fatty acyl-CoA - 3-hydroxy-3-methylglutaryl-CoA