Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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