RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0034437
RefMet name	D-Ribosylnicotinate
Systematic name	1-(beta-D-ribofuranosyl)pyridinium-3-carboxylate
Synonyms	PubChem Synonyms
Exact mass	255.074289 (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	C11H13NO6	View other entries in RefMet with this formula
Molecular descriptors
Molfile	59971 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C11H13NO6/c13-5-7-8(14)9(15)10(18-7)12-3-1-2-6(4-12)11(16)17/h1-4,7-10,13-15H,5H2/t7-,8-,9-,10-/m1/s1
InChIKey	PUEDDPCUCPRQNY-ZYUZMQFOSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1cc(c[n+](c1)[C@H]1[C@@H]([C@@H]([C@@H](CO)O1)O)O)C(=O)[O-] 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 D-Ribosylnicotinate 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 D-Ribosylnicotinate
External Links
Pubchem CID	161233
ChEBI ID	58527
KEGG ID	C05841
HMDB ID	HMDB0006809
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 D-Ribosylnicotinate

Rxn ID	KEGG Reaction	Enzyme
R02295	Nicotinate D-ribonucleoside + Orthophosphate <=> Nicotinate + alpha-D-Ribose 1-phosphate + H+	Nicotinate D-ribonucleoside:orthophosphate ribosyltransferase
R03346	Nicotinate D-ribonucleotide + H2O <=> Nicotinate D-ribonucleoside + Orthophosphate	nicotinate D-ribonucleotide phosphohydrolase
R03347	Nicotinate D-ribonucleotide + ADP <=> Nicotinate D-ribonucleoside + ATP	ATP:beta-D-ribosylnicotinate 5-phosphotransferase
R10046	Nicotinate D-ribonucleoside + H2O <=> Nicotinate + D-Ribose	nicotinate D-ribonucleoside ribohydrolase

Table of KEGG human pathways containing D-Ribosylnicotinate

Pathway ID	Human Pathway	# of reactions
hsa00760	Nicotinate and nicotinamide metabolism	3
hsa01100	Metabolic pathways	1