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=C\CCCCCCCCC([O-])=O
InChIKey
InChIKey=HDHLFIYFSWIQDJ-PZNLSDOMSA-I
Formula
C33H49N7O19P3S
Mass
972.77
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acyl thioesters
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Level 5
Enoyl CoAs
- Level 6 Medium-chain 2-enoyl CoAs
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Level 5
Enoyl CoAs
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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
Enoyl CoAs
Direct Parent
Medium-chain 2-enoyl CoAs
Alternative Parents
2-enoyl CoAs Acyl CoAs Coenzyme A and derivatives Purine ribonucleoside diphosphates Pentose phosphates Ribonucleoside 3'-phosphates Beta amino acids and derivatives Glycosylamines Organic pyrophosphates Monosaccharide phosphates 6-aminopurines Medium-chain fatty acids Thia fatty acids Aminopyrimidines and derivatives Hydroxy fatty acids Alkyl phosphates Imidolactams Unsaturated fatty acids N-substituted imidazoles N-acyl amines Heteroaromatic compounds Tetrahydrofurans Thioesters Secondary carboxylic acid amides Secondary alcohols Amino acids Carbothioic S-esters Carboxylic acids Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coenzyme a or derivatives - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Ribonucleoside 3'-phosphate - Pentose-5-phosphate - Pentose phosphate - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - Organic pyrophosphate - 6-aminopurine - Monosaccharide phosphate - Purine - Imidazopyrimidine - Medium-chain fatty acid - Thia fatty acid - Aminopyrimidine - Hydroxy fatty acid - Fatty amide - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Fatty acid - Imidolactam - Phosphoric acid ester - Alkyl phosphate - Pyrimidine - Unsaturated fatty acid - Heteroaromatic compound - Imidazole - Azole - Tetrahydrofuran - Amino acid - Thiocarboxylic acid ester - Carbothioic s-ester - Amino acid or derivatives - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid - Sulfenyl compound - Thiocarboxylic acid or derivatives - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Primary amine - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain 2-enoyl coas. These are organic compounds containing a coenzyme A substructure linked to a medium-chain 2-enoyl chain of 5 to 12 carbon atoms.
External Descriptors
CHEBI:76340 : acyl-CoA oxoanion