Metabolomics Structure Database

 
MW REGNO: 37867
Common Name:Xanthosine monophosphate
Systematic Name:Xanthosine-5'-monophosphate
RefMet Name:XMP
Synonyms:XMP; Xanthosine 5'-phosphate; Xanthosine-5-phosphate [PubChem Synonyms]
Exact Mass:
364.0420 (neutral)    Calculate m/z:
Formula:C10H13N4O9P
InChIKey:DCTLYFZHFGENCW-UUOKFMHZSA-N
ClassyFire superclass:Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:Purine nucleotides [C0001506]
ClassyFire subclass:Purine ribonucleotides [C0001544]
ClassyFire direct parent:Purine ribonucleoside monophosphates [C0001617]
MoNA MS spectra:View MS spectra
SMILES:O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)[n]1c[n]c2c1NC(=O)NC2=O |&1:1,2,10,11|
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:73323
CHEBI ID:15652
HMDB ID:HMDB0001554
KEGG ID:C00655
Chemspider ID:66054
MetaCyc ID:XANTHOSINE-5-PHOSPHATE

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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