RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135929
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
Synonyms	PubChem Synonyms
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
Molecular descriptors
Molfile	37182 (Download molfile/View MW Metabolite Database details)
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
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)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Pyrimidines
Sub Class	Pyrimidine rNMP
Distribution of UMP 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 UMP
External Links
Pubchem CID	6030
ChEBI ID	16695
KEGG ID	C00105
HMDB ID	HMDB0000288
Chemspider ID	5808
MetaCyc ID	UMP
Spectral data for UMP standards
BMRB ID(NMR)	View NMR spectra
NP-MRD ID(NMR)	View NMR spectra
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 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