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@@H](O)C(=O)NCCC(=O)NCCSC(=O)C(CC([O-])=O)C(O)C1=CC=CC=C1
InChIKey
InChIKey=DVSQFPLMOLPRDU-ONDZYRKQSA-M
Formula
C32H45N7O20P3S
Mass
972.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acyl thioesters
- Level 5 Acyl CoAs
-
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
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 6-aminopurines Monosaccharide phosphates Organic pyrophosphates Thia fatty acids Aminopyrimidines and derivatives Monoalkyl phosphates Hydroxy fatty acids Benzene and substituted derivatives Imidolactams N-substituted imidazoles N-acyl amines Oxolanes Heteroaromatic compounds Thioesters Amino acids Secondary carboxylic acid amides Secondary alcohols Carbothioic S-esters Carboxylic acid salts Carboxylic acids Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Aromatic alcohols Primary amines Organic oxides Hydrocarbon derivatives Organic anions
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 - Monoalkyl phosphate - Hydroxy fatty acid - Aminopyrimidine - Thia fatty acid - Benzenoid - Organic phosphoric acid derivative - N-substituted imidazole - N-acyl-amine - Monocyclic benzene moiety - Imidolactam - Pyrimidine - Fatty amide - Alkyl phosphate - Monosaccharide - Phosphoric acid ester - Oxolane - Heteroaromatic compound - Imidazole - Azole - Amino acid or derivatives - Thiocarboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid salt - Amino acid - Carbothioic s-ester - Monocarboxylic acid or derivatives - Oxacycle - Thiocarboxylic acid or derivatives - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Alcohol - Aromatic alcohol - Carbonyl group - Amine - Hydrocarbon derivative - Primary amine - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic anion - 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