RefMet Compound Details

MW structure	37149 (View MW Metabolite Database details)
RefMet name	Nicotinamide ribotide
Systematic name	3-carbamoyl-1-[(2R,3R,4S,5R)-5-[(hydrogen phosphonatooxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1$l^{5}-pyridin-1-ylium
SMILES	c1cc(c[n+](c1)[C@H]1[C@@H]([C@@H]([C@@H](COP(=O)(O)[O-])O1)O)O)C(=O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	334.056606 (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	C11H15N2O8P	View other entries in RefMet with this formula
InChI	InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7 -,8-,9-,11-/m1/s1
InChIKey	DAYLJWODMCOQEW-TURQNECASA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Alkaloids
Main Class	Nicotinic acid alkaloids
Sub Class	Pyridine alkaloids
Pubchem CID	14180
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Nicotinamide ribotide

Rxn ID	KEGG Reaction	Enzyme
R02324	ATP + Nicotinamide-beta-riboside <=> ADP + Nicotinamide D-ribonucleotide	ATP:N-ribosylnicotinamide 5'-phosphotransferase
R02323	Nicotinamide D-ribonucleotide + H2O <=> Nicotinamide-beta-riboside + Orthophosphate	nicotinamide ribonucleotide phosphohydrolase
R00103	NAD+ + H2O <=> AMP + Nicotinamide D-ribonucleotide	NAD+ phosphohydrolase
R00137	ATP + Nicotinamide D-ribonucleotide <=> Diphosphate + NAD+	ATP:nicotinamide-nucleotide adenylyltransferase
R01271	Nicotinamide D-ribonucleotide + Diphosphate <=> Nicotinamide + 5-Phospho-alpha-D-ribose 1-diphosphate	nicotinamide-D-ribonucleotide:diphosphate phospho-alpha-D-ribosyltransferase

Table of KEGG human pathways containing Nicotinamide ribotide

Pathway ID	Human Pathway	# of reactions
hsa00760	Nicotinate and nicotinamide metabolism	5