Compound Identification
SMILES
CC(C)=CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
InChIKey
InChIKey=ZFKZVSUJTDSJEY-SVHODSNWSA-N
Formula
C28H44N7O18P3S
Mass
891.67
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acyl thioesters
-
Level 5
Acyl CoAs
- Level 6 3-oxo-acyl CoAs
-
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
Acyl CoAs
Direct Parent
3-oxo-acyl CoAs
Alternative Parents
Medium-chain fatty acyl CoAs Coenzyme A and derivatives Purine ribonucleoside diphosphates Ribonucleoside 3'-phosphates Pentose phosphates Beta amino acids and derivatives Glycosylamines 6-aminopurines Organic pyrophosphates Monosaccharide phosphates Aminopyrimidines and derivatives Monoalkyl phosphates 1,3-dicarbonyl compounds Imidolactams N-substituted imidazoles N-acyl amines Tetrahydrofurans Acryloyl compounds Enones Heteroaromatic compounds Thioesters Secondary alcohols Carbothioic S-esters Secondary carboxylic acid amides Ketones Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Primary amines Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Purine ribonucleoside 3',5'-bisphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside diphosphate - Pentose phosphate - Pentose-5-phosphate - Ribonucleoside 3'-phosphate - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Monoalkyl phosphate - Aminopyrimidine - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Fatty amide - Alkyl phosphate - Phosphoric acid ester - Imidolactam - Pyrimidine - 1,3-dicarbonyl compound - Alpha,beta-unsaturated ketone - Enone - Imidazole - Azole - Heteroaromatic compound - Acryloyl-group - Tetrahydrofuran - Carbothioic s-ester - Carboxamide group - Thiocarboxylic acid ester - Amino acid or derivatives - Secondary alcohol - Secondary carboxylic acid amide - Ketone - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Organic nitrogen compound - Amine - Organopnictogen compound - Carbonyl group - Primary amine - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Alcohol - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-oxo-acyl coas. These are organic compounds containing a 3-oxo acylated coenzyme A derivative.
External Descriptors
Not available