Compound Identification
SMILES
[Na+].[Na+].[Na+].CC(=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=KJJYKBIEKQJXHM-UHFFFAOYSA-K
Formula
C25H37N7Na3O18P3S
Mass
917.55
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
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Level 5
Acyl CoAs
- Level 6 3-oxo-acyl CoAs
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Level 5
Acyl CoAs
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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
Direct Parent
3-oxo-acyl CoAs
Alternative Parents
Coenzyme A and derivatives Purine ribonucleoside diphosphates Pentose phosphates Ribonucleoside 3'-phosphates Beta amino acids and derivatives Glycosylamines 6-aminopurines Organic pyrophosphates Monosaccharide phosphates Aminopyrimidines and derivatives Alkyl phosphates 1,3-dicarbonyl compounds Imidolactams N-substituted imidazoles N-acyl amines Oxolanes Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Carbothioic S-esters Thioesters Ketones Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Primary amines Organic zwitterions Organic sodium salts Hydrocarbon derivatives Organic oxides
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-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 - Organic phosphoric acid derivative - Alkyl phosphate - 1,3-dicarbonyl compound - Fatty amide - Phosphoric acid ester - Pyrimidine - N-substituted imidazole - N-acyl-amine - Imidolactam - Monosaccharide - Azole - Heteroaromatic compound - Imidazole - Oxolane - Thiocarboxylic acid ester - Amino acid or derivatives - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Carbothioic s-ester - Ketone - Thiocarboxylic acid or derivatives - Sulfenyl compound - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organic alkali metal salt - Azacycle - Primary amine - Amine - Organic sodium salt - Alcohol - Hydrocarbon derivative - Organic salt - Organic zwitterion - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-oxo-acyl coas. These are organic compounds containing a 3-oxo acylated coenzyme A derivative.
External Descriptors
Not available