Structure Information
Structure

Compound Identification

SMILES

CC(C)(COP([O-])(=O)OP(O)(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCS

InChIKey

InChIKey=RGJOEKWQDUBAIZ-UHFFFAOYSA-K

Formula

C21H33N7O16P3S

Mass

764.51

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Subclass

Purine ribonucleotides

Intermediate Tree Nodes

Purine ribonucleoside bisphosphates - Purine ribonucleoside 3',5'-bisphosphates

Direct Parent

Coenzyme A and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coenzyme a or derivatives - Purine ribonucleoside diphosphate - Ribonucleoside 3'-phosphate - Pentose phosphate - Pentose-5-phosphate - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Monoalkyl phosphate - Fatty amide - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Fatty acyl - Imidolactam - Phosphoric acid ester - Primary aromatic amine - Alkyl phosphate - Pyrimidine - Azole - Oxolane - Imidazole - Heteroaromatic compound - Secondary alcohol - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Organoheterocyclic compound - Alkylthiol - Azacycle - Oxacycle - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Amine - Organic oxygen compound - Primary amine - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Organic anion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coenzyme a and derivatives. These are derivative of vitamin B5 containing a 4'-phosphopantetheine moiety attached to a diphospho-adenosine.

External Descriptors

Not available

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