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Structure Information
Structure

Compound Identification

SMILES

CC\C=C/CC1C(CCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)CCC1=O

InChIKey

InChIKey=IEENEQSEOWXDQK-JXVDQXHRSA-N

Formula

C37H58N7O18P3S

Mass

1013.88

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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

Medium-chain 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 phosphate - Ribonucleoside 3'-phosphate - Pentose-5-phosphate - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - Pentose monosaccharide - Organic pyrophosphate - 6-aminopurine - Monosaccharide phosphate - Purine - Imidazopyrimidine - Aminopyrimidine - Monoalkyl phosphate - Monosaccharide - Pyrimidine - Fatty amide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Alkyl phosphate - Phosphoric acid ester - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Oxolane - Amino acid or derivatives - Cyclic ketone - Carboxamide group - Thiocarboxylic acid ester - Carbothioic s-ester - Ketone - Secondary alcohol - Secondary carboxylic acid amide - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Organoheterocyclic compound - Thiocarboxylic acid or derivatives - Oxacycle - Organic nitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Amine - Organosulfur compound - Organonitrogen compound - 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

Not available

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