Compound Identification
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCC(=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)n1cnc2c(N)ncnc12
InChIKey
InChIKey=BGWXEUDZICRUBP-OBTPWFERSA-N
Formula
C49H88N7O18P3S
Mass
1188.26
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 Very-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
-
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 Pentose phosphates Ribonucleoside 3'-phosphates Beta amino acids and derivatives Glycosylamines 6-aminopurines Organic pyrophosphates Monosaccharide phosphates Aminopyrimidines and derivatives Monoalkyl phosphates 1,3-dicarbonyl compounds N-substituted imidazoles N-acyl amines Imidolactams Oxolanes Heteroaromatic compounds Secondary alcohols Thioesters Secondary carboxylic acid amides Carbothioic S-esters Ketones Oxacyclic compounds Sulfenyl compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides 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 - Pentose-5-phosphate - Ribonucleoside 3'-phosphate - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Monoalkyl phosphate - Imidolactam - Fatty amide - Alkyl phosphate - 1,3-dicarbonyl compound - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Heteroaromatic compound - Imidazole - Oxolane - Azole - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Thiocarboxylic acid ester - Ketone - Amino acid or derivatives - Carbothioic s-ester - Sulfenyl compound - Oxacycle - Organoheterocyclic compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organooxygen compound - Alcohol - Organic nitrogen compound - Amine - Organic oxygen compound - Carbonyl group - Primary amine - Organopnictogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organonitrogen 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