Structure Information
Structure

Compound Identification

SMILES

C[C@H](CCC(O)C(C)C(=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)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

InChIKey

InChIKey=LPAPCIXIEIQRQA-OQRFGCRRSA-J

Formula

C48H72N7O19P3S

Mass

1176.12

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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 - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Steroidal glycoside - 24-hydroxysteroid - Hydroxy bile acid, alcohol, or derivatives - Monohydroxy bile acid, alcohol, or derivatives - Bile acid, alcohol, or derivatives - Oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - Delta-4-steroid - Steroid - Pentose phosphate - Pentose-5-phosphate - Ribonucleoside 3'-phosphate - Beta amino acid or derivatives - N-glycosyl compound - Glycosyl compound - Organic pyrophosphate - 6-aminopurine - Monosaccharide phosphate - Imidazopyrimidine - Purine - Cyclohexenone - Aminopyrimidine - Pyrimidine - Phosphoric acid ester - Monosaccharide - Alkyl phosphate - N-acyl-amine - N-substituted imidazole - Fatty amide - Organic phosphoric acid derivative - Imidolactam - Imidazole - Heteroaromatic compound - Oxolane - Azole - Carboxamide group - Thiocarboxylic acid ester - Secondary alcohol - Ketone - Cyclic ketone - Amino acid or derivatives - Carbothioic s-ester - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic anion - 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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