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)C=CC1=CC=CC=C1
InChIKey
InChIKey=JVNVHNHITFVWIX-UHFFFAOYSA-J
Formula
C30H38N7O17P3S
Mass
893.65
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acyl thioesters
-
Level 5
Enoyl CoAs
- Level 6 2-enoyl CoAs
-
Level 5
Enoyl 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
Enoyl CoAs
Direct Parent
2-enoyl CoAs
Alternative Parents
Acyl CoAs Coenzyme A and derivatives Purine ribonucleoside diphosphates Pentose phosphates Ribonucleoside 3'-phosphates Cinnamic acids and derivatives Beta amino acids and derivatives Glycosylamines 6-aminopurines Monosaccharide phosphates Organic pyrophosphates Styrenes Aminopyrimidines and derivatives Alkyl phosphates Imidolactams N-acyl amines N-substituted imidazoles Heteroaromatic compounds Tetrahydrofurans Thioesters Carbothioic S-esters Secondary alcohols Secondary carboxylic acid amides Oxacyclic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Primary amines Organic oxides 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 - Cinnamic acid or derivatives - Glycosyl compound - Beta amino acid or derivatives - N-glycosyl compound - Monosaccharide phosphate - Organic pyrophosphate - 6-aminopurine - Imidazopyrimidine - Purine - Styrene - Aminopyrimidine - Monocyclic benzene moiety - Fatty amide - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Imidolactam - Benzenoid - Phosphoric acid ester - Alkyl phosphate - Pyrimidine - Tetrahydrofuran - Azole - Imidazole - Heteroaromatic compound - Carbothioic s-ester - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Thiocarboxylic acid ester - Amino acid or derivatives - Thiocarboxylic acid or derivatives - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organopnictogen compound - Primary amine - Carbonyl group - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen 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-11549) : a cinnamoyl-CoA