Compound Identification
SMILES
CC1=CC(CC(CC(O)=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)=CC=C1
InChIKey
InChIKey=OQNWWRUKIDSNIG-ANHZDMDASA-N
Formula
C33H48N7O19P3S
Mass
971.76
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 Pentose phosphates Ribonucleoside 3'-phosphates Beta amino acids and derivatives Glycosylamines 6-aminopurines Monosaccharide phosphates Organic pyrophosphates Toluenes Thia fatty acids Hydroxy fatty acids Aminopyrimidines and derivatives Monoalkyl phosphates Imidolactams N-acyl amines N-substituted imidazoles Heteroaromatic compounds Oxolanes Secondary alcohols Thioesters Carbothioic S-esters Amino acids Secondary carboxylic acid amides Monocarboxylic acids and derivatives Oxacyclic compounds Carboxylic acids Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Purine ribonucleoside 3',5'-bisphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside diphosphate - Pentose phosphate - Ribonucleoside 3'-phosphate - Pentose-5-phosphate - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Toluene - Aminopyrimidine - Hydroxy fatty acid - Thia fatty acid - Monoalkyl phosphate - Alkyl phosphate - Monocyclic benzene moiety - Imidolactam - Fatty amide - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Benzenoid - Phosphoric acid ester - Pyrimidine - Oxolane - Imidazole - Heteroaromatic compound - Azole - Amino acid or derivatives - Secondary carboxylic acid amide - Amino acid - Secondary alcohol - Carbothioic s-ester - Thiocarboxylic acid ester - Carboxamide group - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Alcohol - Carbonyl group - Primary amine - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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