Structure Information
Structure

Compound Identification

SMILES

CCC\C=C\C=O.CC(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](O)C(=O)NCCC(=O)NCCS

InChIKey

InChIKey=FNRHWJMQRYXJEW-KBQHCMBASA-N

Formula

C27H46N7O17P3S

Mass

865.68

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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

Not available

Substituents

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