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-I
Formula
C27H39N7O20P3S
Mass
906.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Fatty Acyls
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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
(S)-3-hydroxyacyl CoAs (R)-3-hydroxyacyl CoAs 2,3,4-saturated fatty acyl CoAs Coenzyme A and derivatives Purine ribonucleoside diphosphates Pentose phosphates Ribonucleoside 3'-phosphates Beta amino acids and derivatives Glycosylamines Monosaccharide phosphates 6-aminopurines Organic pyrophosphates Aminopyrimidines and derivatives Alkyl phosphates Imidolactams N-acyl amines N-substituted imidazoles Heteroaromatic compounds Tertiary alcohols Tetrahydrofurans Secondary carboxylic acid amides Secondary alcohols Thioesters Carbothioic S-esters Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Sulfenyl compounds Primary amines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Purine ribonucleoside 3',5'-bisphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside diphosphate - Pentose phosphate - Pentose-5-phosphate - Ribonucleoside 3'-phosphate - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Imidazopyrimidine - Purine - Aminopyrimidine - Imidolactam - Fatty amide - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Alkyl phosphate - Phosphoric acid ester - Pyrimidine - Imidazole - Azole - Tertiary alcohol - Tetrahydrofuran - Heteroaromatic compound - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Amino acid or derivatives - Carbothioic s-ester - Thiocarboxylic acid ester - Amino acid - Oxacycle - Sulfenyl compound - Carboxylic acid - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Thiocarboxylic acid or derivatives - Organic oxide - Primary amine - Alcohol - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Organic anion - 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:43074 : carboxylic acid anion - acyl-CoA oxoanion