Compound Identification
SMILES
CCCCCC(=O)C(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=KLWODICKEMLOJE-RNDGGQLMSA-N
Formula
C29H47BrN7O18P3S
Mass
986.61
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
2,3,4-saturated fatty acyl CoAs 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 Alpha-haloketones Oxolanes Heteroaromatic compounds Secondary alcohols Secondary carboxylic acid amides Carbothioic S-esters Thioesters Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Organobromides Organic oxides Alkyl bromides Hydrocarbon derivatives Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Pentose-5-phosphate - Pentose phosphate - Ribonucleoside 3'-phosphate - Glycosyl compound - N-glycosyl compound - Beta amino acid or derivatives - 6-aminopurine - Pentose monosaccharide - Monosaccharide phosphate - Organic pyrophosphate - Imidazopyrimidine - Purine - Monoalkyl phosphate - Aminopyrimidine - Organic phosphoric acid derivative - N-substituted imidazole - Pyrimidine - N-acyl-amine - 1,3-dicarbonyl compound - Alkyl phosphate - Monosaccharide - Imidolactam - Phosphoric acid ester - Fatty amide - Alpha-haloketone - Azole - Heteroaromatic compound - Imidazole - Oxolane - Secondary alcohol - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Thiocarboxylic acid ester - Carbothioic s-ester - Ketone - Thiocarboxylic acid or derivatives - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Primary amine - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Alkyl halide - Organohalogen compound - Carbonyl group - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organobromide - Organooxygen compound - Organosulfur compound - Amine - 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