Metabolomics Structure Database

 
MW REGNO: 37416
Common Name:Pseudouridine
Systematic Name:5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
RefMet Name:Pseudouridine
Synonyms: [PubChem Synonyms]
Exact Mass:
244.0695 (neutral)    Calculate m/z:
Formula:C9H12N2O6
InChIKey:PTJWIQPHWPFNBW-GBNDHIKLSA-N
ClassyFire superclass:Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:Nucleoside and nucleotide analogues [C0003737]
ClassyFire subclass:Nucleoside and nucleotide analogues [C0003737]
ClassyFire direct parent:Aromatic heteromonocyclic compounds
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:c1c([C@H]2[C@@H]([C@@H]([C@@H](CO)O2)O)O)c(=O)[nH]c(=O)[nH]1
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:15047
CHEBI ID:17802
HMDB ID:HMDB0000767
KEGG ID:C02067
Chemspider ID:14319
METLIN ID:5734
MetaCyc ID:CPD-497
NP-MRD ID(NMR):NP0000873
Plant Metabolite Hub(Pmhub):MS000000290

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

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