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-VPBDWJRSSA-N
Formula
C27H44N7O20P3S
Mass
911.66
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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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
(R)-3-hydroxyacyl CoAs (S)-3-hydroxyacyl CoAs 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 Monosaccharide phosphates 6-aminopurines Organic pyrophosphates Monoalkyl phosphates Aminopyrimidines and derivatives N-substituted imidazoles N-acyl amines Imidolactams Heteroaromatic compounds Tertiary alcohols Oxolanes Thioesters Carbothioic S-esters Amino acids Secondary carboxylic acid amides Secondary alcohols Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Primary amines Carbonyl compounds
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 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