RefMet Compound Details

RefMet ID	RM0135929
MW structure	37182 (View MW Metabolite Database details)
RefMet name	UMP
Systematic name	{[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
SMILES	c1cn([C@H]2[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O2)O)O)c(=O)[nH]c1=O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	324.035871 (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	C9H13N2O9P	View other entries in RefMet with this formula
InChI	InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4- ,6-,7-,8-/m1/s1
InChIKey	DJJCXFVJDGTHFX-XVFCMESISA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Nucleic acids
Main Class	Pyrimidines
Sub Class	Pyrimidine rNMP
Pubchem CID	6030
ChEBI ID	16695
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving UMP

Rxn ID	KEGG Reaction	Enzyme
R00155	UDP + H2O <=> UMP + Orthophosphate	UDP phosphohydrolase
R00158	ATP + UMP <=> ADP + UDP	ATP:UMP phosphotransferase
R00662	UTP + H2O <=> UMP + Diphosphate	Uridine triphosphate pyrophosphohydrolase
R00963	UMP + H2O <=> Uridine + Orthophosphate	uridine 5'-monophosphate phosphohydrolase
R00964	ATP + Uridine <=> ADP + UMP	ATP:uridine 5'-phosphotransferase
R00965	Orotidine 5'-phosphate <=> UMP + CO2	orotidine-5'-phosphate carboxy-lyase (UMP-forming)
R00966	UMP + Diphosphate <=> Uracil + 5-Phospho-alpha-D-ribose 1-diphosphate	UMP:diphosphate phospho-alpha-D-ribosyltransferase
R00967	UTP + Uridine <=> UDP + UMP	UTP:uridine 5'-phosphotransferase
R00968	GTP + Uridine <=> GDP + UMP	GTP:uridine 5'-phosphotransferase
R00970	ITP + Uridine <=> IDP + UMP	ITP:uridine 5'-phosphotransferase
R01549	dATP + Uridine <=> dADP + UMP	dATP:uridine 5'-phosphotransferase
R01880	dGTP + Uridine <=> dGDP + UMP	dGTP:uridine 5'-phosphotransferase
R02097	dTTP + Uridine <=> dTDP + UMP	dTTP:uridine 5'-phosphotransferase
R02327	dCTP + Uridine <=> dCDP + UMP	dCTP:uridine 5'-phosphotransferase
R02332	dUTP + Uridine <=> dUDP + UMP	dUTP:uridine 5'-phosphotransferase

Table of KEGG human pathways containing UMP

Pathway ID	Human Pathway	# of reactions
hsa00240	Pyrimidine metabolism	8
hsa01232	Nucleotide metabolism	2
hsa01100	Metabolic pathways	1