Compound Identification
SMILES
[NH4+].[NH4+].[NH4+].[NH4+].[2H]C([2H])([2H])C(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=CCUDFXYQLRWJMW-WABZAOTBSA-O
Formula
C27H57N11O20P3S
Mass
983.81
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
-
Level 6
3-hydroxyacyl CoAs
-
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 Glycosylamines Beta amino acids and derivatives Monosaccharide phosphates Organic pyrophosphates 6-aminopurines Aminopyrimidines and derivatives Imidolactams N-acyl amines N-substituted imidazoles Alkyl phosphates Heteroaromatic compounds Quaternary ammonium salts Oxolanes Tertiary alcohols Secondary alcohols Carbothioic S-esters Thioesters Secondary carboxylic acid amides Amino acids Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Primary amines Carbonyl compounds Organopnictogen compounds Organic salts 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 - 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 - Aminopyrimidine - Fatty amide - Alkyl phosphate - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Imidolactam - Imidazole - Tertiary alcohol - Azole - Oxolane - Quaternary ammonium salt - Heteroaromatic compound - Amino acid - Secondary alcohol - Carboxamide group - Secondary carboxylic acid amide - Carbothioic s-ester - Amino acid or derivatives - Thiocarboxylic acid ester - Monocarboxylic acid or derivatives - Sulfenyl compound - Carboxylic acid derivative - Organoheterocyclic compound - Thiocarboxylic acid or derivatives - Carboxylic acid - Azacycle - Oxacycle - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organic oxygen compound - Alcohol - Amine - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - 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