Compound Identification
SMILES
CC(C)CC(=O)OC(O)(CC([O-])=O)C[N+](C)(C)C.CC(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=DTEKXCRASGZTLC-AXADTWDNSA-N
Formula
C39H67N8O25P3S
Mass
1172.98
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 Pentose phosphates Ribonucleoside 3'-phosphates Acyl carnitines Glycosylamines Carnitines Beta amino acids and derivatives 6-aminopurines Organic pyrophosphates Monosaccharide phosphates Monoalkyl phosphates Aminopyrimidines and derivatives Hydroxy fatty acids Short-chain hydroxy acids and derivatives Branched fatty acids Dicarboxylic acids and derivatives Imidolactams Hemiketals N-substituted imidazoles N-acyl amines Tetraalkylammonium salts Tertiary alcohols Oxolanes Heteroaromatic compounds Amino acids Secondary carboxylic acid amides Thioesters Secondary alcohols Carbothioic S-esters Carboxylic acid salts Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organic zwitterions Primary amines Carbonyl compounds Organic salts
Molecular Framework
Not available
Substituents
Coenzyme a or derivatives - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Ribonucleoside 3'-phosphate - Pentose-5-phosphate - Pentose phosphate - Acyl-carnitine - N-glycosyl compound - Glycosyl compound - Beta amino acid or derivatives - Carnitine - Pentose monosaccharide - Organic pyrophosphate - Monosaccharide phosphate - 6-aminopurine - Imidazopyrimidine - Purine - Fatty acid ester - Monoalkyl phosphate - Hydroxy fatty acid - Aminopyrimidine - Short-chain hydroxy acid - Branched fatty acid - N-substituted imidazole - Organic phosphoric acid derivative - N-acyl-amine - Monosaccharide - Imidolactam - Dicarboxylic acid or derivatives - Phosphoric acid ester - Pyrimidine - Hemiketal - Alkyl phosphate - Fatty amide - Heteroaromatic compound - Tetraalkylammonium salt - Azole - Tertiary alcohol - Imidazole - Oxolane - Quaternary ammonium salt - Amino acid or derivatives - Amino acid - Carboxamide group - Carboxylic acid ester - Carboxylic acid salt - Carbothioic s-ester - Thiocarboxylic acid ester - Hemiacetal - Secondary carboxylic acid amide - Secondary alcohol - Oxacycle - Thiocarboxylic acid or derivatives - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Amine - Organic nitrogen compound - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organic zwitterion - Primary amine - Organosulfur compound - Organooxygen compound - 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