Metabolomics Structure Database

 
MW REGNO: 52757
Common Name:5-bromo-2'-deoxyuridine
Systematic Name:5-bromo-2'-deoxyuridine
Synonyms:5-Bdu; 5-Bromodeoxyuridine; 5-Bromodesoxyuridine; 5-Bromouracil deoxyriboside; 5-Bromouracil-2-deoxyriboside; BrdU; Bromodeoxyuridine; Bromouracil deoxyriboside [PubChem Synonyms]
Exact Mass:
305.9851 (neutral)    Calculate m/z:
Formula:C9H11BrN2O5
InChIKey:WOVKYSAHUYNSMH-RRKCRQDMSA-N
ClassyFire superclass:Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:Pyrimidine nucleosides [C0000480]
ClassyFire subclass:Pyrimidine 2'-deoxyribonucleosides [C0002180]
ClassyFire direct parent:Pyrimidine 2'-deoxyribonucleosides [C0002180]
MoNA MS spectra:View MS spectra
SMILES:C1[C@@H]([C@@H](CO)O[C@H]1n1cc(c(=O)[nH]c1=O)Br)O
Studies:-

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External database links:

PubChem CID:6035
CHEBI ID:472552

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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