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(Cl)C=C1
InChIKey
InChIKey=DEPSOKCZMQPCBI-VBDPZXIHSA-N
Formula
C28H39ClN7O17P3S
Mass
906.08
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
-
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 Chlorobenzenes Imidolactams Aryl chlorides 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 Organochlorides 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 - Ribonucleoside 3'-phosphate - Pentose phosphate - Pentose-5-phosphate - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Thiobenzoic acid or derivatives - Imidazopyrimidine - Purine - Benzoyl - Chlorobenzene - Aminopyrimidine - Halobenzene - Monoalkyl phosphate - Pyrimidine - Imidolactam - Monocyclic benzene moiety - Monosaccharide - N-acyl-amine - Phosphoric acid ester - N-substituted imidazole - Organic phosphoric acid derivative - Benzenoid - Fatty amide - Alkyl phosphate - Aryl halide - Aryl chloride - Tetrahydrofuran - Imidazole - Azole - Heteroaromatic compound - Carbothioic s-ester - Thiocarboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Secondary alcohol - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Thiocarboxylic acid or derivatives - Sulfenyl compound - Primary amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Alcohol - Organohalogen compound - Amine - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - 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