Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37466
Common Name:	Nicotinamide riboside
Systematic Name:	3-carbamoyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1$l^{5}-pyridin-1-ylium
RefMet Name:	Nicotinamide riboside
Synonyms:	[PubChem Synonyms]
Exact Mass:	255.0981 (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-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C11H15N2O5
InChIKey:	JLEBZPBDRKPWTD-TURQNECASA-O
ClassyFire superclass:	Organic oxygen compounds [C0004603]
ClassyFire class:	Organooxygen compounds [C0000323]
ClassyFire subclass:	Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:	Glycosylamines [C0002203]
SMILES:	c1cc(c[n+](c1)[C@H]1[C@@H]([C@@H]([C@@H](CO)O1)O)O)C(=O)N
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	439924
CHEBI ID:	15927
HMDB ID:	HMDB0000855
KEGG ID:	C03150
Chemspider ID:	388956
METLIN ID:	5818
MetaCyc ID:	NICOTINAMIDE_RIBOSE
Plant Metabolite Hub(Pmhub):	MS000017816

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y