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Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=CC(C=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)=C1

InChIKey

InChIKey=GBXZVJQQDAJGSO-UHFFFAOYSA-N

Formula

C31H44N7O19P3S

Mass

943.7

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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 3',5'-bisphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside diphosphate - Pentose-5-phosphate - Ribonucleoside 3'-phosphate - Pentose phosphate - Hydroxycinnamic acid or derivatives - Cinnamic acid or derivatives - N-glycosyl compound - Glycosyl compound - Beta amino acid or derivatives - 6-aminopurine - Pentose monosaccharide - Organic pyrophosphate - Monosaccharide phosphate - Methoxyphenol - Purine - Imidazopyrimidine - Styrene - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Aminopyrimidine - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monoalkyl phosphate - Monocyclic benzene moiety - Fatty amide - Imidolactam - Benzenoid - Alkyl phosphate - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Pyrimidine - Phosphoric acid ester - Azole - Heteroaromatic compound - Oxolane - Imidazole - Secondary alcohol - Secondary carboxylic acid amide - Amino acid or derivatives - Thiocarboxylic acid ester - Carbothioic s-ester - Carboxamide group - Thiocarboxylic acid or derivatives - Sulfenyl compound - Carboxylic acid derivative - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Primary amine - 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

Not available

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