RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0010946
RefMet name	XMP
Systematic name	Xanthosine-5'-monophosphate
Synonyms	PubChem Synonyms
Exact mass	364.042019 (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+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C10H13N4O9P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37867 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2 ,12,13,17,18)/t3-,5-,6-,9-/m1/s1
InChIKey	DCTLYFZHFGENCW-UUOKFMHZSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C([C@@H]1[C@H]([C@H]([C@H](n2cnc3c2[nH]c(=O)[nH]c3=O)O1)O)O)OP(=O)(O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Purines
Sub Class	Purine rNMP
Distribution of XMP in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting XMP
External Links
Pubchem CID	73323
ChEBI ID	15652
KEGG ID	C00655
HMDB ID	HMDB0001554
Chemspider ID	66054
MetaCyc ID	XANTHOSINE-5-PHOSPHATE
Spectral data for XMP standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving XMP

Rxn ID	KEGG Reaction	Enzyme
R01130	IMP + NAD+ + H2O <=> Xanthosine 5'-phosphate + NADH + H+	IMP:NAD+ oxidoreductase
R01230	ATP + Xanthosine 5'-phosphate + Ammonia <=> AMP + Diphosphate + GMP	Xanthosine-5'-phosphate:ammonia ligase (AMP-forming)
R01231	ATP + Xanthosine 5'-phosphate + L-Glutamine + H2O <=> AMP + Diphosphate + GMP + L-Glutamate	Xanthosine-5'-phosphate:L-glutamine amido-ligase (AMP-forming)
R02142	Xanthosine 5'-phosphate + Diphosphate <=> Xanthine + 5-Phospho-alpha-D-ribose 1-diphosphate	XMP:pyrophosphate phosphoribosyltransferase
R02719	Xanthosine 5'-phosphate + H2O <=> Xanthosine + Orthophosphate	xanthosine 5'-phosphate phosphohydrolase
R02720	XTP + H2O <=> Xanthosine 5'-phosphate + Diphosphate	XTP pyrophosphohydrolase

Table of KEGG human pathways containing XMP

Pathway ID	Human Pathway	# of reactions
hsa00230	Purine metabolism	6
hsa01100	Metabolic pathways	2
hsa01232	Nucleotide metabolism	2