Compound Identification
SMILES
CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCC([O-])=O
InChIKey
InChIKey=VKKKAAPGXHWXOO-BIEWRJSYSA-M
Formula
C27H41N7O20P3S
Mass
908.64
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
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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
2,3,4-saturated fatty acyl CoAs Medium-chain fatty acyl CoAs Coenzyme A and derivatives Purine ribonucleoside diphosphates Ribonucleoside 3'-phosphates Pentose phosphates Beta amino acids and derivatives Glycosylamines Monosaccharide phosphates Organic pyrophosphates 6-aminopurines Medium-chain keto acids and derivatives Gamma-keto acids and derivatives Thia fatty acids Aminopyrimidines and derivatives Monoalkyl phosphates Hydroxy fatty acids 1,3-dicarbonyl compounds Imidolactams N-substituted imidazoles N-acyl amines Heteroaromatic compounds Oxolanes Ketones Thioesters Secondary alcohols Carbothioic S-esters Amino acids Carboxylic acid salts Secondary carboxylic acid amides Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Primary amines Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Pentose phosphate - Pentose-5-phosphate - Ribonucleoside 3'-phosphate - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Pentose monosaccharide - Organic pyrophosphate - Monosaccharide phosphate - Purine - Imidazopyrimidine - Medium-chain keto acid - Gamma-keto acid - Monoalkyl phosphate - Hydroxy fatty acid - Aminopyrimidine - Thia fatty acid - Organic phosphoric acid derivative - N-substituted imidazole - N-acyl-amine - Fatty amide - Pyrimidine - Keto acid - 1,3-dicarbonyl compound - Alkyl phosphate - Monosaccharide - Phosphoric acid ester - Imidolactam - Heteroaromatic compound - Imidazole - Azole - Oxolane - Amino acid or derivatives - Amino acid - Carboxamide group - Carboxylic acid salt - Carbothioic s-ester - Thiocarboxylic acid ester - Ketone - Secondary carboxylic acid amide - Secondary alcohol - Monocarboxylic acid or derivatives - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Primary amine - Organic nitrogen compound - Organosulfur compound - Amine - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Alcohol - Organic oxygen compound - Organic oxide - Organic anion - 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