Structure Information
Structure

Compound Identification

SMILES

[H]C(O)(C(O)=NCCC(O)=NCCSC(=O)CC(=O)CCCCCCCCCCC(O)=O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1([H])OC([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)C1([H])OP(O)(O)=O

InChIKey

InChIKey=BBFDWYFIECYVAX-UHFFFAOYSA-N

Formula

C35H58N7O20P3S

Mass

1021.86

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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 - 3-oxo-acyl CoAs

Direct Parent

Long-chain 3-oxoacyl 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 phosphate - Pentose-5-phosphate - Long-chain fatty acid - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Hydroxy fatty acid - Keto fatty acid - Monoalkyl phosphate - Thia fatty acid - Alkyl phosphate - N-substituted imidazole - Pyrimidine - Organic phosphoric acid derivative - 1,3-dicarbonyl compound - Monosaccharide - Phosphoric acid ester - Imidolactam - Fatty acid - Heteroaromatic compound - Azole - Imidazole - Oxolane - Amino acid - Ketone - Carbothioic s-ester - Thiocarboxylic acid ester - Amino acid or derivatives - Secondary alcohol - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic 1,3-dipolar compound - Thiocarboxylic acid or derivatives - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Alcohol - Organosulfur compound - Hydrocarbon derivative - Amine - Organooxygen compound - Organonitrogen compound - Primary amine - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as long-chain 3-oxoacyl coas. These are organic compounds containing a coenzyme A derivative, which is 3-oxo acylated long aliphatic chain of 13 to 21 carbon atoms.

External Descriptors

Not available

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