Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	59971
Common Name:	D-ribosylnicotinate
Systematic Name:	1-(beta-D-ribofuranosyl)pyridinium-3-carboxylate
RefMet Name:	D-Ribosylnicotinate
Synonyms:	beta-D-ribosylnicotinate [PubChem Synonyms]
Exact Mass:	255.0743 (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:	C11H13NO6
InChIKey:	PUEDDPCUCPRQNY-ZYUZMQFOSA-N
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)[O-]
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	161233
CHEBI ID:	58527
HMDB ID:	HMDB0006809
KEGG ID:	C05841
Plant Metabolite Hub(Pmhub):	MS000016519

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