Compound Identification
SMILES
[Na+].[Na+].[Na+].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=WPQBDHRBYCRXIB-QZPVDJDXSA-K
Formula
C27H41N7Na3O20P3S
Mass
977.6
Taxonomic Classification
Taxonomy Tree
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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
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 Tertiary alcohols Heteroaromatic compounds Oxolanes Secondary carboxylic acid amides Carbothioic S-esters Secondary alcohols Amino acids Thioesters Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Oxacyclic compounds Carbonyl compounds Organopnictogen compounds Organic zwitterions Organic oxides Organic sodium salts Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Ribonucleoside 3'-phosphate - Pentose-5-phosphate - Pentose phosphate - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Pentose monosaccharide - Monosaccharide phosphate - Organic pyrophosphate - Purine - Imidazopyrimidine - Aminopyrimidine - Monoalkyl phosphate - Organic phosphoric acid derivative - Alkyl phosphate - Pyrimidine - Phosphoric acid ester - Fatty amide - Imidolactam - N-substituted imidazole - N-acyl-amine - Monosaccharide - Azole - Heteroaromatic compound - Imidazole - Oxolane - Tertiary alcohol - Thiocarboxylic acid ester - Secondary alcohol - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carbothioic s-ester - Amino acid - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Organic alkali metal salt - Azacycle - Monocarboxylic acid or derivatives - Oxacycle - Organic zwitterion - Alcohol - Hydrocarbon derivative - Amine - Organic oxide - Organic sodium salt - Organic salt - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Primary amine - Organic oxygen compound - Organosulfur 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