RefMet Compound Details

RefMet ID	RM0010946
MW structure	37867 (View MW Metabolite Database details)
RefMet name	XMP
Systematic name	Xanthosine-5'-monophosphate
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)
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
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
Super Class	Nucleic acids
Main Class	Purines
Sub Class	Purine rNMP
Pubchem CID	73323
ChEBI ID	15652
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