Structure Information
Structure

Compound Identification

SMILES

CC(=O)C1=C(CC(=O)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)N2C=NC3=C2N=CN=C3N)C=C2C=CC=C(O)C2=C1O

InChIKey

InChIKey=ZPVOTBKMHKCINW-LAJRBWNJSA-N

Formula

C37H48N7O21P3S

Mass

1051.8

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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 diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Pentose-5-phosphate - Pentose phosphate - Ribonucleoside 3'-phosphate - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 1-naphthol - 6-aminopurine - Pentose monosaccharide - Organic pyrophosphate - Naphthalene - Monosaccharide phosphate - Acetophenone - Imidazopyrimidine - Purine - Aryl ketone - Aryl alkyl ketone - Aminopyrimidine - Monoalkyl phosphate - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fatty amide - Monosaccharide - N-acyl-amine - N-substituted imidazole - Imidolactam - Organic phosphoric acid derivative - Benzenoid - Alkyl phosphate - 1,3-dicarbonyl compound - Phosphoric acid ester - Primary aromatic amine - Pyrimidine - Oxolane - Vinylogous acid - Azole - Heteroaromatic compound - Imidazole - Secondary alcohol - Carboxamide group - Secondary carboxylic acid amide - Carbothioic s-ester - Amino acid or derivatives - Thiocarboxylic acid ester - Ketone - Thiocarboxylic acid or derivatives - Sulfenyl compound - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Aldehyde - Organic oxide - Primary amine - Carbonyl group - Organic nitrogen compound - Alcohol - Organosulfur compound - Organic oxygen compound - Amine - Organooxygen compound - 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

Not available

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