Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	52550
Common Name:	3-(beta-D-ribofuranosyl)uric acid
Systematic Name:	3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,9-dihydropurine-2,6,8-trione
RefMet Name:	3-(beta-D-Ribofuranosyl)uric acid
Synonyms:	3-ribosyluric acid; urate D-ribonucleoside; uric acid ribonucleoside; uric acid riboside [PubChem Synonyms]
Exact Mass:	300.0706 (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:	C10H12N4O7
InChIKey:	MFGPUMDDJCTHOI-UMMCILCDSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Imidazopyrimidines [C0001797]
ClassyFire subclass:	Purines and purine derivatives [C0000245]
ClassyFire direct parent:	Xanthines [C0000247]
SMILES:	C([C@@H]1[C@H]([C@H]([C@H](n2c3c(c(=O)[nH]c2=O)[nH]c(=O)[nH]3)O1)O)O)O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	164933
CHEBI ID:	50547
HMDB ID:	HMDB0029920
KEGG ID:	C05513
Plant Metabolite Hub(Pmhub):	MS000018754

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