Compound Identification
SMILES
CCCCCCCCCCCCCCC(Br)C(=O)SCCNC(=O)CCNC(=O)C(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=JEDWMKVKCKVAJH-JRDIIVBRSA-N
Formula
C37H65BrN7O17P3S
Mass
1084.84
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 Long-chain fatty 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
Direct Parent
Long-chain fatty acyl CoAs
Alternative Parents
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 Monosaccharide phosphates Organic pyrophosphates Aminopyrimidines and derivatives Monoalkyl phosphates Imidolactams N-acyl amines N-substituted imidazoles Heteroaromatic compounds Oxolanes Thioesters Carbothioic S-esters Secondary alcohols Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Sulfenyl compounds Organobromides Hydrocarbon derivatives Primary amines Carbonyl compounds Alkyl bromides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Pentose phosphate - Pentose-5-phosphate - Ribonucleoside 3'-phosphate - Beta amino acid or derivatives - N-glycosyl compound - Glycosyl compound - Monosaccharide phosphate - 6-aminopurine - Pentose monosaccharide - Organic pyrophosphate - Imidazopyrimidine - Purine - Monoalkyl phosphate - Aminopyrimidine - N-substituted imidazole - N-acyl-amine - Organic phosphoric acid derivative - Monosaccharide - Imidolactam - Phosphoric acid ester - Alkyl phosphate - Fatty amide - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Oxolane - Carboxamide group - Amino acid or derivatives - Carbothioic s-ester - Thiocarboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organic oxygen compound - Amine - Alkyl halide - Alkyl bromide - Alcohol - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as long-chain fatty acyl coas. These are acyl CoAs where the group acylated to the coenzyme A moiety is a long aliphatic chain of 13 to 21 carbon atoms.
External Descriptors
Not available