RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0109100
RefMet name	Pyrimidine nucleoside
Systematic name	(2R,3S,4R,5R)-2-(hydroxymethyl)-5-pyrimidin-1-ium-1-yl-tetrahydrofuran-3,4-diol
Synonyms	PubChem Synonyms
Exact mass	213.087532 (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+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C9H13N2O4	View other entries in RefMet with this formula
Molecular descriptors
Molfile	68607 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C9H13N2O4/c12-4-6-7(13)8(14)9(15-6)11-3-1-2-10-5-11/h1-3,5-9,12-14H,4H2/q+1/t6-,7-,8-,9-/m1/s1
InChIKey	UAGYHIZGHDGMCY-FNCVBFRFSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1cnc[n+](c1)[C@H]1[C@@H]([C@@H]([C@@H](CO)O1)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Pyrimidines
Sub Class	Pyrimidine ribonucleosides
Distribution of Pyrimidine nucleoside in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Pyrimidine nucleoside
External Links
Pubchem CID	439920
ChEBI ID	17124
KEGG ID	C03169
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)