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)CCCC([O-])=O
InChIKey
InChIKey=KJXFOFKTZDJLMQ-UYRKPTJQSA-M
Formula
C28H43N7O20P3S
Mass
922.66
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
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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 Glycosylamines Beta amino acids and derivatives 6-aminopurines Organic pyrophosphates Monosaccharide phosphates Medium-chain fatty acids Hydroxy fatty acids Monoalkyl phosphates Aminopyrimidines and derivatives 1,3-dicarbonyl compounds Imidolactams N-substituted imidazoles N-acyl amines Oxolanes Heteroaromatic compounds Secondary alcohols Ketones Thioesters Secondary carboxylic acid amides Carbothioic S-esters Amino acids Carboxylic acid salts 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 3',5'-bisphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside diphosphate - Pentose phosphate - Ribonucleoside 3'-phosphate - Pentose-5-phosphate - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Medium-chain fatty acid - Monoalkyl phosphate - Hydroxy fatty acid - Aminopyrimidine - 1,3-dicarbonyl compound - Imidolactam - Alkyl phosphate - Monosaccharide - N-acyl-amine - Pyrimidine - Fatty acid - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Fatty amide - Heteroaromatic compound - Imidazole - Azole - Oxolane - Amino acid - Thiocarboxylic acid ester - Carbothioic s-ester - Amino acid or derivatives - Ketone - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid salt - Carboxamide group - Sulfenyl compound - Thiocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Primary amine - Organic oxide - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Alcohol - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - 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