Structure Information
Structure

Compound Identification

SMILES

CC(OC(=O)NCC1=CC=C(C=C1)C(=O)NCC#CCC1=CN([C@H]2CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O)C1=C(C=CC(CNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)=C1)[N+]([O-])=O

InChIKey

InChIKey=OIKQFMCHBXPVGX-KWEPSOMKSA-N

Formula

C47H62N9O21P3S

Mass

1214.04

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Nucleosides, nucleotides, and analogues

Class

Pyrimidine nucleotides

Subclass

Pyrimidine deoxyribonucleotides

Intermediate Tree Nodes

Pyrimidine deoxyribonucleoside triphosphates

Direct Parent

Pyrimidine 2',3'-dideoxyribonucleoside triphosphates

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pyrimidine 2',3'-dideoxyribonucleoside triphosphate - Pyrimidine 2',3'-dideoxyribonucleoside diphosphate - Biotin_derivative - Benzyloxycarbonyl - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Thienoimidazolidine - Pyrimidone - Monoalkyl phosphate - Pyrimidine - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Phosphoric acid ester - Alkyl phosphate - Hydropyrimidine - Imidazolidinone - N-acyl-amine - Organic phosphoric acid derivative - Benzenoid - Oxolane - Heteroaromatic compound - Carbamic acid ester - Vinylogous amide - Thiolane - Thiophene - Imidazolidine - Carboxamide group - Organic nitro compound - Lactam - C-nitro compound - Urea - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Organic 1,3-dipolar compound - Thioether - Dialkylthioether - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic salt - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrimidine 2',3'-dideoxyribonucleoside triphosphates. These are pyrimidine nucleotides with triphosphate group linked to the ribose moiety lacking a hydroxyl group at positions 2 and 3.

External Descriptors

Not available

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