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:
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
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:73323
CHEBI ID:15652
KEGG ID:C00655
Chemspider ID:66054
Plant Metabolite Hub(Pmhub):MS000009930

Calculated physicochemical properties (?):

Heavy Atoms: 24  
Rings: 3  
Aromatic Rings: 2  
Rotatable Bonds: 4  
van der Waals Molecular volume: 255.06 Å3 molecule-1  
Toplogical Polar Sufrace Area: 202.06 Å2 molecule-1  
Hydrogen Bond Donors: 6  
Hydrogen Bond Acceptors: 11  
logP: 0.11  
Molar Refractivity: 76.73  
Fraction sp3 Carbons: 0.50  
sp3 Carbons: 5  

Human Pathway links:

HMDB and KEGG pathways containing this metabolite

REACTOME pathways containing this metabolite


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