Structure Information
Structure

Compound Identification

SMILES

COc1cc(C=CC(=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)n2cnc3c(N)ncnc23)cc(O)c1O

InChIKey

InChIKey=ILSPFIPSQSFPCN-PVMJKYSESA-N

Formula

C31H44N7O20P3S

Mass

959.7

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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 diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Pentose-5-phosphate - Ribonucleoside 3'-phosphate - Pentose phosphate - Cinnamic acid or derivatives - Hydroxycinnamic acid or derivatives - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Pentose monosaccharide - Organic pyrophosphate - Monosaccharide phosphate - Methoxyphenol - Imidazopyrimidine - Purine - Catechol - Styrene - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monoalkyl phosphate - Phenol - Pyrimidine - Phosphoric acid ester - Alkyl phosphate - Monocyclic benzene moiety - Benzenoid - Fatty amide - Imidolactam - Organic phosphoric acid derivative - N-substituted imidazole - N-acyl-amine - Monosaccharide - Tetrahydrofuran - Azole - Heteroaromatic compound - Imidazole - Secondary alcohol - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Amino acid or derivatives - Carboxamide group - Carbothioic s-ester - Organoheterocyclic compound - Azacycle - Ether - Oxacycle - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Primary amine - Organic oxygen compound - Carbonyl group - Amine - Alcohol - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - 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

CHEBI:31136 : acyl-CoA

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