Compound Identification
SMILES
CC(=O)CC[C@H](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)C(C)=C
InChIKey
InChIKey=VMTHAXKUEKKCEY-PDQACDDGSA-N
Formula
C31H50N7O18P3S
Mass
933.75
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 2,3,4-saturated fatty 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
2,3,4-saturated fatty 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 Imidolactams N-substituted imidazoles N-acyl amines Tetrahydrofurans Heteroaromatic compounds Ketones Thioesters Secondary alcohols Secondary carboxylic acid amides Carbothioic S-esters Oxacyclic compounds Sulfenyl compounds Azacyclic compounds Primary amines Hydrocarbon derivatives 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 - Pentose monosaccharide - Organic pyrophosphate - 6-aminopurine - Monosaccharide phosphate - Purine - Imidazopyrimidine - Aminopyrimidine - Monoalkyl phosphate - Monosaccharide - N-acyl-amine - Pyrimidine - Fatty amide - N-substituted imidazole - Organic phosphoric acid derivative - Alkyl phosphate - Imidolactam - Phosphoric acid ester - Azole - Imidazole - Tetrahydrofuran - Heteroaromatic compound - Carbothioic s-ester - Carboxamide group - Thiocarboxylic acid ester - Ketone - Amino acid or derivatives - Secondary alcohol - Secondary carboxylic acid amide - Oxacycle - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Thiocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Primary amine - Alcohol - Amine - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2,3,4-saturated fatty acyl coas. These are acyl-CoAs carrying a 2,3,4-saturated fatty acyl chain.
External Descriptors
CHEBI:29004 : oxo-fatty acyl-CoA - unsaturated fatty acyl-CoA - branched-chain fatty acyl-CoA