Compound Identification
SMILES
CCC=CCC1C(CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC2OC(C(O)C2OP([O-])([O-])=O)N2C=NC3=C2N=CN=C3N)CCC1=O
InChIKey
InChIKey=QSAQFDYWYNLXEC-UHFFFAOYSA-J
Formula
C35H50N7O18P3S
Mass
981.8
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Fatty Acyls
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Subclass
Fatty acyl thioesters
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Level 5
Enoyl CoAs
- Level 6 2-enoyl CoAs
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Level 5
Enoyl 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
Enoyl CoAs
Direct Parent
2-enoyl CoAs
Alternative Parents
Acyl CoAs 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 Imidolactams N-acyl amines N-substituted imidazoles Tetrahydrofurans Heteroaromatic compounds Thioesters Cyclic ketones Secondary alcohols Carbothioic S-esters Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Primary amines Organic oxides Organopnictogen compounds 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 - Pentose-5-phosphate - Ribonucleoside 3'-phosphate - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Imidazopyrimidine - Purine - Aminopyrimidine - N-acyl-amine - N-substituted imidazole - Alkyl phosphate - Organic phosphoric acid derivative - Monosaccharide - Pyrimidine - Imidolactam - Phosphoric acid ester - Fatty amide - Tetrahydrofuran - Imidazole - Heteroaromatic compound - Azole - Carboxamide group - Amino acid or derivatives - Ketone - Carbothioic s-ester - Secondary alcohol - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Cyclic ketone - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Alcohol - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Carbonyl group - Primary amine - Organic oxide - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-enoyl coas. These are organic compounds containing a coenzyme A substructure linked to a 2-enoyl chain.
External Descriptors
META CYC (CPD-11526) : an acyl-CoA