Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	68607
Common Name:	Pyrimidine nucleoside
Systematic Name:	(2R,3S,4R,5R)-2-(hydroxymethyl)-5-pyrimidin-1-ium-1-yl-tetrahydrofuran-3,4-diol
RefMet Name:	Pyrimidine nucleoside
Synonyms:	N-D-Ribosylpyrimidine; AC1L98BC; C03169 [PubChem Synonyms]
Exact Mass:	213.0875 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C9H13N2O4
InChIKey:	UAGYHIZGHDGMCY-FNCVBFRFSA-N
ClassyFire superclass:	Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:	Pyrimidine nucleosides [C0000480]
ClassyFire subclass:	Pyrimidine nucleosides [C0000480]
ClassyFire direct parent:	Aromatic heteromonocyclic compounds
SMILES:	c1cnc[n+](c1)[C@H]1[C@@H]([C@@H]([C@@H](CO)O1)O)O
Studies:	Available studies (via RefMet name)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	439920
KEGG ID:	C03169
Plant Metabolite Hub(Pmhub):	MS000017824

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