Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N

InChIKey

InChIKey=UVJKZCSQLMWPMV-LQJAWXTISA-J

Formula

C45H76N7O17P3S

Mass

1112.12

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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

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

Description

This compound belongs to the class of organic compounds known as very long-chain 2-enoyl coas. These are organic compounds containing a coenzyme A substructure linked to a long-chain 2-enoyl chain of at least 22 carbon atoms.

External Descriptors

CHEBI:74693 : 2,3-trans-enoyl CoA(4-)

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