RefMet Compound Details

MW structure37821 (View MW Metabolite Database details)
RefMet nameNicotinic acid
Systematic namepyridine-3-carboxylic acid
SMILESc1cc(cnc1)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass123.032029 (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
FormulaC6H5NO2View other entries in RefMet with this formula
InChIKeyPVNIIMVLHYAWGP-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassNicotinic acid alkaloids
Sub ClassPyridine alkaloids
Pubchem CID938
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Nicotinic acid

Rxn IDKEGG ReactionEnzyme
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)
R10046 Nicotinate D-ribonucleoside + H2O <=> Nicotinate + D-Ribosenicotinate D-ribonucleoside ribohydrolase
R02295 Nicotinate D-ribonucleoside + Orthophosphate <=> Nicotinate + alpha-D-Ribose 1-phosphate + H+Nicotinate D-ribonucleoside:orthophosphate ribosyltransferase

Table of KEGG human pathways containing Nicotinic acid

Pathway IDHuman Pathway# of reactions
hsa00760 Nicotinate and nicotinamide metabolism 2
hsa01100 Metabolic pathways 1