Structure Information
Structure

Compound Identification

SMILES

CC1=CN([C@H]2C[C@H](OP(O)(O)=O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COCCCCCCS)N3C=NC4=C3N=CN=C4N)N3C=C(C)C(=O)NC3=O)N3C=C(C)C(=O)NC3=O)N3C=C(C)C(=O)NC3=O)N3C=NC4=C3NC(N)=NC4=O)O2)C(=O)NC1=O

InChIKey

InChIKey=LVILIIJQQYEQDR-DVIQBZTESA-N

Formula

C66H90N18O40P6S

Mass

1993.43

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Subclass

Purine deoxyribonucleotides

Intermediate Tree Nodes

Purine deoxyribonucleoside bisphosphates

Direct Parent

Purine deoxyribonucleoside 3',5'-bisphosphates

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Purine deoxyribonucleoside 3',5'-bisphosphate - Pyrimidine deoxyribonucleoside 3',5'-bisphosphate - Pyrimidine deoxyribonucleoside bisphosphate - Ribonucleoside 3'-phosphate - 6-aminopurine - 6-oxopurine - Hypoxanthine - Imidazopyrimidine - Purine - Aminopyrimidine - Pyrimidone - Monoalkyl phosphate - Dialkyl phosphate - Alkyl phosphate - Imidolactam - Hydropyrimidine - Pyrimidine - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Vinylogous amide - Azole - Imidazole - Oxolane - Heteroaromatic compound - Lactam - Urea - Oxacycle - Alkylthiol - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Amine - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as purine deoxyribonucleoside 3',5'-bisphosphates. These are purine ribobucleotides with one phosphate group attached to each of two different hydroxyl groups of the ribose moiety, which lacks a hydroxyl group at position 2.

External Descriptors

Not available

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