RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135915
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
Synonyms	PubChem Synonyms
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
Molecular descriptors
Molfile	37149 (Download molfile/View MW Metabolite Database details)
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
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)
Chemical/Biochemical Classification
Super Class	Alkaloids
Main Class	Pyridine alkaloids
Sub Class	Nicotinic acid alkaloids
Distribution of Nicotinamide ribotide 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 Nicotinamide ribotide
External Links
Pubchem CID	14180
ChEBI ID	16171
KEGG ID	C00455
HMDB ID	HMDB0000229
Chemspider ID	13553
MetaCyc ID	NICOTINAMIDE_NUCLEOTIDE
Spectral data for Nicotinamide ribotide standards
BMRB ID(NMR)	View NMR spectra
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
Structural annotation level
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
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
R02323	Nicotinamide D-ribonucleotide + H2O <=> Nicotinamide-beta-riboside + Orthophosphate	nicotinamide ribonucleotide phosphohydrolase
R02324	ATP + Nicotinamide-beta-riboside <=> ADP + Nicotinamide D-ribonucleotide	ATP:N-ribosylnicotinamide 5'-phosphotransferase

Table of KEGG human pathways containing Nicotinamide ribotide

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