Structure Information
Structure

Compound Identification

SMILES

[H]C(O)(CC(=O)SCCN=C(O)CCN=C(O)C([H])(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)C([H])(C)C1([H])CCC2([H])C3([H])CCC4=CC(=O)CCC4(C)C3([H])CCC12C

InChIKey

InChIKey=PWKWOPLMMQRHSP-UHFFFAOYSA-N

Formula

C45H70N7O19P3S

Mass

1138.07

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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-hydroxyacyl CoAs

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coenzyme a or derivatives - Steroidal glycoside - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Hydroxy bile acid, alcohol, or derivatives - Monohydroxy bile acid, alcohol, or derivatives - 22-hydroxysteroid - Bile acid, alcohol, or derivatives - Hydroxysteroid - Oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - Delta-4-steroid - Steroid - Pentose phosphate - Pentose-5-phosphate - Ribonucleoside 3'-phosphate - Glycosyl compound - N-glycosyl compound - Organic pyrophosphate - Monosaccharide phosphate - 6-aminopurine - Pentose monosaccharide - Imidazopyrimidine - Purine - Cyclohexenone - Aminopyrimidine - Monoalkyl phosphate - Organic phosphoric acid derivative - Alkyl phosphate - Imidolactam - N-substituted imidazole - Phosphoric acid ester - Monosaccharide - Pyrimidine - Imidazole - Azole - Oxolane - Heteroaromatic compound - Carbothioic s-ester - Amino acid or derivatives - Cyclic ketone - Secondary alcohol - Ketone - Thiocarboxylic acid ester - Sulfenyl compound - Thiocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Amine - Carbonyl group - Primary amine - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Aromatic heteropolycyclic compound

Description

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

External Descriptors

Not available

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