Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=CC(=C1)C(O)CC(=O)SCCNC(=O)CCNC(=O)C(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

InChIKey

InChIKey=SDNPOBCYTJKZSD-HRCMCYLASA-N

Formula

C31H46N7O20P3S

Mass

961.72

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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

Not available

Direct Parent

Acyl CoAs

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coenzyme a or derivatives - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Ribonucleoside 3'-phosphate - Pentose-5-phosphate - Pentose phosphate - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Methoxyphenol - Organic pyrophosphate - Monosaccharide phosphate - Pentose monosaccharide - Purine - Imidazopyrimidine - Anisole - Phenoxy compound - Methoxybenzene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Monoalkyl phosphate - Phenol - Alkyl aryl ether - Aminopyrimidine - Fatty amide - Monocyclic benzene moiety - Monosaccharide - Pyrimidine - Benzenoid - N-acyl-amine - Imidolactam - Alkyl phosphate - Phosphoric acid ester - N-substituted imidazole - Organic phosphoric acid derivative - Tetrahydrofuran - Imidazole - Azole - Heteroaromatic compound - Carbothioic s-ester - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Thiocarboxylic acid ester - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Ether - Oxacycle - Azacycle - Primary amine - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Alcohol - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic alcohol - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as acyl coas. These are organic compounds containing a coenzyme A substructure linked to an acyl chain.

External Descriptors

Not available

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