Compound Identification
SMILES
CCCCCC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=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=DWIUTCMTXCBUNH-YLJNVRNNSA-N
Formula
C49H68N7O28P3S
Mass
1328.09
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Fatty Acyls
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Subclass
Fatty acyl thioesters
-
Level 5
Acyl CoAs
-
Level 6
3-oxo-acyl CoAs
- Level 7 Very-long-chain 3-oxoacyl CoAs
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Level 6
3-oxo-acyl CoAs
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Level 5
Acyl CoAs
-
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 - 3-oxo-acyl CoAs
Direct Parent
Very-long-chain 3-oxoacyl CoAs
Alternative Parents
Very long-chain fatty acyl CoAs 2,3,4-saturated fatty acyl CoAs Coenzyme A and derivatives Purine ribonucleoside diphosphates Ribonucleoside 3'-phosphates Pentose phosphates Beta amino acids and derivatives Glycosylamines 6-aminopurines Organic pyrophosphates Monosaccharide phosphates Aminopyrimidines and derivatives Beta-diketones Monoalkyl phosphates Imidolactams N-substituted imidazoles N-acyl amines Heteroaromatic compounds Oxolanes Ketones Thioesters Carbothioic S-esters Secondary alcohols Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Primary amines Organic oxides
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 - 1,3-diketone - Aminopyrimidine - Monoalkyl phosphate - Imidolactam - Alkyl phosphate - Fatty amide - 1,3-dicarbonyl compound - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Imidazole - Oxolane - Heteroaromatic compound - Azole - Secondary alcohol - Amino acid or derivatives - Ketone - Carbothioic s-ester - Carboxamide group - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Azacycle - Sulfenyl compound - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organic oxide - Amine - Carbonyl group - Primary amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as very-long-chain 3-oxoacyl coas. These are organic compounds containing a coenzyme A derivative, which is 3-oxo acylated long aliphatic chain of 22 carbon atoms or more.
External Descriptors
Not available