Compound Identification
SMILES
CCCCCC\C=C\C(=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=XBFQFVLNMJDDNG-DUPKWVSKSA-N
Formula
C32H52N7O18P3S
Mass
947.78
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
Medium-chain 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 N-substituted imidazoles N-acyl amines 1,3-dicarbonyl compounds Imidolactams Oxolanes Acryloyl compounds Enones Heteroaromatic compounds Thioesters Carbothioic S-esters Secondary carboxylic acid amides Ketones Secondary alcohols Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organic oxides Primary amines Hydrocarbon derivatives
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 - Monosaccharide phosphate - Pentose monosaccharide - 6-aminopurine - Organic pyrophosphate - Imidazopyrimidine - Purine - Monoalkyl phosphate - Aminopyrimidine - N-substituted imidazole - Organic phosphoric acid derivative - Pyrimidine - N-acyl-amine - Monosaccharide - Imidolactam - Fatty amide - 1,3-dicarbonyl compound - Phosphoric acid ester - Alkyl phosphate - Alpha,beta-unsaturated ketone - Heteroaromatic compound - Imidazole - Acryloyl-group - Azole - Oxolane - Enone - Ketone - Carbothioic s-ester - Thiocarboxylic acid ester - Amino acid or derivatives - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Amine - Organic oxide - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Alcohol - Organonitrogen 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