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-N

Formula

C48H76N7O19P3S

Mass

1180.15

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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 - 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 - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Purine - Imidazopyrimidine - Monoalkyl phosphate - Cyclohexenone - Aminopyrimidine - Pyrimidine - Alkyl phosphate - Phosphoric acid ester - Monosaccharide - Imidolactam - N-acyl-amine - N-substituted imidazole - Fatty amide - Organic phosphoric acid derivative - Imidazole - Heteroaromatic compound - Oxolane - Azole - Cyclic ketone - Secondary alcohol - Ketone - Thiocarboxylic acid ester - Carbothioic s-ester - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Carbonyl group - Alcohol - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - 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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