Structure Information
Structure

Compound Identification

SMILES

CC(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)C(O)C(=O)NCCC(=O)NCCSC(=O)C(CC(O)=O)C(=O)C1=CC2=CC=CC=C2C=C1

InChIKey

InChIKey=GXAPHCAQTPKOBU-NWIMEVMBSA-N

Formula

C36H46N7O20P3S

Mass

1021.77

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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 - Pentose phosphate - Pentose-5-phosphate - Ribonucleoside 3'-phosphate - Beta amino acid or derivatives - Butyrophenone - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Naphthalene - Organic pyrophosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Aryl alkyl ketone - Aryl ketone - Gamma-keto acid - Aminopyrimidine - Monoalkyl phosphate - Hydroxy fatty acid - Thia fatty acid - Imidolactam - Fatty amide - Benzenoid - Alkyl phosphate - 1,3-dicarbonyl compound - Keto acid - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Tetrahydrofuran - Azole - Imidazole - Heteroaromatic compound - Secondary alcohol - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Thiocarboxylic acid ester - Carbothioic s-ester - Amino acid or derivatives - Ketone - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Carboxylic acid - Oxacycle - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Amine - Organic oxide - Primary amine - Carbonyl group - 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:34886 : polyol

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