Metabolomics Structure Database

 
MW REGNO: 37701
Common Name:dTDP
Systematic Name:{[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}phosphonic acid
RefMet Name:dTDP
Synonyms: [PubChem Synonyms]
Exact Mass:
402.0229 (neutral)    Calculate m/z:
Formula:C10H16N2O11P2
InChIKey:UJLXYODCHAELLY-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 diphosphates [C0002156]
MoNA MS spectra:View MS spectra
SMILES:CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:164628
CHEBI ID:18075
HMDB ID:HMDB0001274
KEGG ID:C00363
Chemspider ID:144320
METLIN ID:6129
MetaCyc ID:TDP

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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