Metabolomics Structure Database

 
MW REGNO: 37671
Common Name:5-Thymidylic acid
Systematic Name:{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
322.0566 (neutral)    Calculate m/z:
Formula:C10H15N2O8P
InChIKey:GYOZYWVXFNDGLU-XLPZGREQSA-N
ClassyFire superclass:Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:Pyrimidine nucleotides [C0001509]
ClassyFire subclass:Pyrimidine deoxyribonucleotides [C0002148]
ClassyFire direct parent:Pyrimidine 2'-deoxyribonucleoside monophosphates [C0002158]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:9700
CHEBI ID:17013
HMDB ID:HMDB0001227
KEGG ID:C00364
Chemspider ID:9319
METLIN ID:6092
BMRB ID:bmse000296
MetaCyc ID:TMP

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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