Metabolomics Structure Database

 
MW REGNO: 67970
Common Name:Convicine
Systematic Name:6-amino-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1H-pyrimidine-2,4-dione
RefMet Name:Convicine
Synonyms:6-amino-5-(b-d-glucopyranosyloxy)-2,4(1h,3h)-pyrimidinedione; AC1L3ETZ; AC1Q6LTN; SureCN4630048 [PubChem Synonyms]
Exact Mass:
305.0859 (neutral)    Calculate m/z:
Formula:C10H15N3O8
InChIKey:JJWYIMQKLTVAGZ-SYCVNHKBSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:O-glycosyl compounds [C0002207]
MoNA MS spectra:View MS spectra
SMILES:C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc1c(N)[nH]c(=O)[nH]c1=O)O)O)O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:88000
HMDB ID:HMDB0250445
KEGG ID:C08430
Plant Metabolite Hub(Pmhub):MS000015139

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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