RefMet Compound Details

MW structure37620 (View MW Metabolite Database details)
RefMet nameNicotinic acid mononucleotide
Systematic name3-carboxy-1-[(2R,3R,4S,5R)-5-[(hydrogen phosphonatooxy)methyl]-3,4-dihydroxyoxolan-2-yl]-2,3-dihydro-1$l^{5}-pyridin-1-ylium
SMILESC1=CC(C[N+](=C1)[C@H]1[C@@H]([C@@H]([C@@H](COP(=O)(O)[O-])O1)O)O)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass337.056268 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC11H16NO9PView other entries in RefMet with this formula
InChIKeyOGCWVIVNTBZPBW-BHRXDNSCSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassNicotinic acid alkaloids
Sub ClassPyridine alkaloids
Pubchem CID53477721
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Nicotinic acid mononucleotide

Rxn IDKEGG ReactionEnzyme
R03004 Deamino-NAD+ + H2O <=> AMP + Nicotinate D-ribonucleotideDeamino-NAD+ nucleotidohydrolase
R03348 Nicotinate D-ribonucleotide + Diphosphate + CO2 <=> Quinolinate + 5-Phospho-alpha-D-ribose 1-diphosphateNicotinate-nucleotide:pyrophosphate phosphoribosyltransferase (carboxylating)
R03347 Nicotinate D-ribonucleotide + ADP <=> Nicotinate D-ribonucleoside + ATPATP:beta-D-ribosylnicotinate 5-phosphotransferase
R01724 Nicotinate D-ribonucleotide + Diphosphate + ADP + Orthophosphate <=> Nicotinate + 5-Phospho-alpha-D-ribose 1-diphosphate + ATP + H2O + H+5-phospho-alpha-D-ribose 1-diphosphate:nicotinate ligase (ADP, diphosphate-forming)
R03346 Nicotinate D-ribonucleotide + H2O <=> Nicotinate D-ribonucleoside + Orthophosphatenicotinate D-ribonucleotide phosphohydrolase
R03005 ATP + Nicotinate D-ribonucleotide <=> Diphosphate + Deamino-NAD+ATP:nicotinamide-nucleotide adenylyltransferase

Table of KEGG human pathways containing Nicotinic acid mononucleotide

Pathway IDHuman Pathway# of reactions
hsa00760 Nicotinate and nicotinamide metabolism 6