Compound Identification
SMILES
CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=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=NQXRRZBOZBKGIU-MHAUFEDZSA-J
Formula
C41H66N7O19P3S
Mass
1085.99
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
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Level 6
3-oxo-acyl CoAs
- Level 7 Long-chain 3-oxoacyl CoAs
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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 - 3-oxo-acyl CoAs
Direct Parent
Long-chain 3-oxoacyl CoAs
Alternative Parents
Long-chain fatty acyl CoAs 2,3,4-saturated fatty acyl CoAs Coenzyme A and derivatives Purine ribonucleoside diphosphates Pentose phosphates Ribonucleoside 3'-phosphates Glycosylamines Beta amino acids and derivatives Monosaccharide phosphates 6-aminopurines Organic pyrophosphates Aminopyrimidines and derivatives 1,3-dicarbonyl compounds Imidolactams N-substituted imidazoles N-acyl amines Alkyl phosphates Oxolanes Heteroaromatic compounds Carbothioic S-esters Thioesters Secondary alcohols Secondary carboxylic acid amides Ketones Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Primary amines 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 - Monosaccharide phosphate - 6-aminopurine - Organic pyrophosphate - Imidazopyrimidine - Purine - Aminopyrimidine - Monosaccharide - Fatty amide - Phosphoric acid ester - Imidolactam - N-substituted imidazole - Organic phosphoric acid derivative - N-acyl-amine - Pyrimidine - 1,3-dicarbonyl compound - Alkyl phosphate - Imidazole - Heteroaromatic compound - Azole - Oxolane - Ketone - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Amino acid or derivatives - Carbothioic s-ester - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Organic oxide - Organic nitrogen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Alcohol - Amine - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as long-chain 3-oxoacyl coas. These are organic compounds containing a coenzyme A derivative, which is 3-oxo acylated long aliphatic chain of 13 to 21 carbon atoms.
External Descriptors
Not available