Compound Identification
SMILES
[Na+].CC(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=NBLAKUXBFJVQMO-UHFFFAOYSA-N
Formula
C27H44N7NaO20P3S
Mass
934.65
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
Direct Parent
3-hydroxy-3-alkylglutaryl CoAs
Alternative Parents
2,3,4-saturated fatty acyl CoAs Coenzyme A and derivatives Purine ribonucleoside diphosphates Ribonucleoside 3'-phosphates Pentose phosphates Beta amino acids and derivatives Glycosylamines 6-aminopurines Monosaccharide phosphates Organic pyrophosphates Aminopyrimidines and derivatives Monoalkyl phosphates Imidolactams N-acyl amines N-substituted imidazoles Heteroaromatic compounds Tertiary alcohols Oxolanes Secondary carboxylic acid amides Carbothioic S-esters Secondary alcohols Amino acids Thioesters Organic alkali metal salts Carboxylic acids Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Primary amines Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic cations
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 - Monosaccharide phosphate - Organic pyrophosphate - 6-aminopurine - Pentose monosaccharide - Imidazopyrimidine - Purine - Monoalkyl phosphate - Aminopyrimidine - Fatty amide - Imidolactam - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Alkyl phosphate - Phosphoric acid ester - Pyrimidine - Tertiary alcohol - Imidazole - Heteroaromatic compound - Azole - Oxolane - Secondary carboxylic acid amide - Secondary alcohol - Thiocarboxylic acid ester - Amino acid - Carbothioic s-ester - Carboxamide group - Amino acid or derivatives - Organic alkali metal salt - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Oxacycle - Sulfenyl compound - Carboxylic acid - Hydrocarbon derivative - Primary amine - Organic nitrogen compound - Alcohol - Amine - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - 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