Structure Information
Structure

Compound Identification

SMILES

CCC=CCC=CCC=CCC=CCC=CCC=CCCC(O)C#CSCCNC(=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=WMNDLRJBDCYOHL-GNBCNVCYSA-N

Formula

C45H68N7O17P3S

Mass

1104.05

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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 - Pentose phosphate - Pentose-5-phosphate - Ribonucleoside 3'-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 acyl - Fatty amide - Imidolactam - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Alkyl phosphate - Phosphoric acid ester - Pyrimidine - Tetrahydrofuran - Azole - Imidazole - Heteroaromatic compound - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Amino acid or derivatives - Sulfenyl compound - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organosulfur compound - Alcohol - Organic nitrogen compound - Amine - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Primary amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - 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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