Compound Identification
SMILES
CC(C)(COP([O-])(=O)OP([O-])(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CC1=CC=CC=C1
InChIKey
InChIKey=ZIGIFDRJFZYEEQ-UHFFFAOYSA-J
Formula
C29H38N7O17P3S
Mass
881.64
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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 6-aminopurines Monosaccharide phosphates Organic pyrophosphates Aminopyrimidines and derivatives Alkyl phosphates Benzene and substituted derivatives Imidolactams N-acyl amines N-substituted imidazoles Oxolanes Heteroaromatic compounds Secondary alcohols Carbothioic S-esters Secondary carboxylic acid amides Thioesters Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Primary amines Carbonyl compounds Organic oxides 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 - Organic pyrophosphate - Monosaccharide phosphate - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Benzenoid - Imidolactam - Fatty amide - Phosphoric acid ester - Alkyl phosphate - Monocyclic benzene moiety - Pyrimidine - Imidazole - Oxolane - Heteroaromatic compound - Azole - Carbothioic s-ester - Amino acid or derivatives - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen 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
META CYC (CPD-207) : a CoA derivative