Compound Identification
SMILES
CC(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)C(O)C(=O)NCCC(=O)NCCSC(=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=ORILDBXADZMSHG-VBDPZXIHSA-N
Formula
C28H39FN7O17P3S
Mass
889.63
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
- Level 5 Acyl CoAs
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Subclass
Fatty acyl thioesters
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Class
Fatty Acyls
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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
Not available
Direct Parent
Acyl CoAs
Alternative Parents
Coenzyme A and derivatives Purine ribonucleoside diphosphates Ribonucleoside 3'-phosphates Pentose phosphates Beta amino acids and derivatives Glycosylamines 4-halobenzoic acids and derivatives 6-aminopurines Monosaccharide phosphates Organic pyrophosphates Thiobenzoic acids and derivatives Benzoyl derivatives Monoalkyl phosphates Aminopyrimidines and derivatives Fluorobenzenes Imidolactams Aryl fluorides N-substituted imidazoles N-acyl amines Tetrahydrofurans Heteroaromatic compounds Thioesters Secondary carboxylic acid amides Secondary alcohols Carbothioic S-esters Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Carbonyl compounds Primary amines Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Ribonucleoside 3'-phosphate - Pentose-5-phosphate - Pentose phosphate - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Pentose monosaccharide - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Organic pyrophosphate - Monosaccharide phosphate - Benzoic acid or derivatives - Thiobenzoic acid or derivatives - Purine - Imidazopyrimidine - Benzoyl - Aminopyrimidine - Fluorobenzene - Monoalkyl phosphate - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Imidolactam - Benzenoid - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Alkyl phosphate - Phosphoric acid ester - Pyrimidine - Tetrahydrofuran - Heteroaromatic compound - Imidazole - Azole - Secondary alcohol - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Carboxamide group - Amino acid or derivatives - Carbothioic s-ester - Organoheterocyclic compound - Azacycle - Oxacycle - Thiocarboxylic acid or derivatives - Sulfenyl compound - Carboxylic acid derivative - Alcohol - Organopnictogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Hydrocarbon derivative - Primary amine - Organic oxygen compound - Organohalogen compound - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as acyl coas. These are organic compounds containing a coenzyme A substructure linked to an acyl chain.
External Descriptors
Not available