RefMet Compound Details

MW structure	78587 (View MW Metabolite Database details)
RefMet name	D-Ribofuranosylamine 5-phosphate
Systematic name	[(2R,3S,4R,5R)-5-[(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)amino]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate
SMILES	C([C@@H]1[C@H]([C@H]([C@H](Nc2c(c(=O)[nH]c(=O)[nH]2)N)O1)O)O)OP(=O)([O-])[O-]   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	352.042019 (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	C9H13N4O9P	View other entries in RefMet with this formula
InChI	InChI=1S/C9H15N4O9P/c10-3-6(12-9(17)13-7(3)16)11-8-5(15)4(14)2(22-8)1-21-23(18,19)20/h2,4-5,8,14-15H,1,10H2,(H2,18,19,20)(H3,11,12 ,13,16,17)/p-2/t2-,4-,5-,8-/m1/s1
InChIKey	LZEXYCAGPMYXLX-UMMCILCDSA-L	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Carbohydrates
Main Class	Monosaccharides
Sub Class	Monosaccharides
Pubchem CID	25245199
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)