Structure Information
Structure

Compound Identification

SMILES

CCCCCC=CCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(O)C(O)(C(O)=O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N

InChIKey

InChIKey=GTSHHZMJOWPPSN-UHFFFAOYSA-N

Formula

C42H72N7O19P3S

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 - 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 - Beta-hydroxy acid - Monoalkyl phosphate - Fatty acyl thioester - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Hydroxy acid - Imidolactam - Phosphoric acid ester - Pyrimidine - Alpha-hydroxy acid - Alkyl phosphate - Heteroaromatic compound - Imidazole - Azole - Tertiary alcohol - Tetrahydrofuran - Amino acid or derivatives - Carbothioic s-ester - Thiocarboxylic acid ester - Hemiaminal - Secondary alcohol - Amino acid - Secondary carboxylic acid amide - Carboxamide group - Thiocarboxylic acid or derivatives - Secondary amine - Sulfenyl compound - Alkanolamine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Oxacycle - Monocarboxylic acid or derivatives - Primary amine - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Amine - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Alcohol - 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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