Structure Information
Structure

Compound Identification

SMILES

COC1=CC(\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)=CC(O)=C1O

InChIKey

InChIKey=ILSPFIPSQSFPCN-VYBUCKLUSA-J

Formula

C31H40N7O20P3S

Mass

955.67

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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 - Ribonucleoside 3'-phosphate - Pentose-5-phosphate - Pentose phosphate - Hydroxycinnamic acid or derivatives - Cinnamic acid or derivatives - N-glycosyl compound - Glycosyl compound - Beta amino acid or derivatives - Methoxyphenol - Monosaccharide phosphate - 6-aminopurine - Organic pyrophosphate - Purine - Imidazopyrimidine - Phenoxy compound - Phenol ether - Styrene - Anisole - Catechol - Methoxybenzene - Aminopyrimidine - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 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 - Carboxamide group - Carbothioic s-ester - Thiocarboxylic acid or derivatives - Sulfenyl compound - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Primary amine - Alcohol - Organic oxygen 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

Not available

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