Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	53528
Common Name:	alpha-ribazole
Systematic Name:	5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole
RefMet Name:	alpha-Ribazole
Synonyms:	N1-(alpha-D-ribosyl)-5,6-dimethylbenzimidazole; alpha-Ribazole; alpha-ribazole [PubChem Synonyms]
Exact Mass:	278.1267 (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:	C14H18N2O4
InChIKey:	HLRUKOJSWOKCPP-SYQHCUMBSA-N
ClassyFire superclass:	Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:	Benzimidazole ribonucleosides and ribonucleotides [C0000663]
ClassyFire subclass:	Benzimidazole ribonucleosides and ribonucleotides [C0000663]
ClassyFire direct parent:	Aromatic heteropolycyclic compounds
SMILES:	Cc1cc2c(cc1C)n(cn2)[C@@H]1[C@@H]([C@@H]([C@@H](CO)O1)O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	160433
CHEBI ID:	10329
KEGG ID:	C05775
Plant Metabolite Hub(Pmhub):	MS000018861

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