Structure Information
Structure

Compound Identification

SMILES

C[C@@H]([C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)CC(=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=MUOUYOUSQGFFIP-GDRSPGQTSA-J

Formula

C45H64N7O19P3S

Mass

1132.02

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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

Acyl CoAs

Direct Parent

3-oxo-acyl CoAs

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coenzyme a or derivatives - Purine ribonucleoside 3',5'-bisphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside diphosphate - Steroidal glycoside - Bile acid, alcohol, or derivatives - 22-oxosteroid - 21-oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - Delta-4-steroid - Steroid - Ribonucleoside 3'-phosphate - Pentose phosphate - Pentose-5-phosphate - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Imidazopyrimidine - Purine - Aminopyrimidine - Cyclohexenone - 1,3-dicarbonyl compound - Fatty amide - Alkyl phosphate - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Imidolactam - Pyrimidine - Azole - Heteroaromatic compound - Tetrahydrofuran - Imidazole - Carbothioic s-ester - Carboxamide group - Secondary alcohol - Amino acid or derivatives - Thiocarboxylic acid ester - Secondary carboxylic acid amide - Ketone - Cyclic ketone - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Sulfenyl compound - Organosulfur compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Primary amine - Organic oxygen compound - Amine - Alcohol - Organic anion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3-oxo-acyl coas. These are organic compounds containing a 3-oxo acylated coenzyme A derivative.

External Descriptors

CHEBI:86014 : acyl-CoA(4-)

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