RefMet Compound Details

RefMet ID	RM0138923
MW structure	37072 (View MW Metabolite Database details)
RefMet name	CMP
Systematic name	{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-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)nc1N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	323.051855 (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	C9H14N3O8P	View other entries in RefMet with this formula
InChI	InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4 -,6-,7-,8-/m1/s1
InChIKey	IERHLVCPSMICTF-XVFCMESISA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Nucleic acids
Main Class	Pyrimidines
Sub Class	Pyrimidine rNMP
Pubchem CID	6131
ChEBI ID	17361
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving CMP

Rxn ID	KEGG Reaction	Enzyme
R00511	CMP + H2O <=> Cytidine + Orthophosphate	cytidine-5'-monophosphate phosphohydrolase
R00512	ATP + CMP <=> ADP + CDP	ATP:CMP phosphotransferase
R00513	ATP + Cytidine <=> ADP + CMP	ATP:cytidine 5'-phosphotransferase
R00514	CDP + H2O <=> CMP + Orthophosphate	CDP phosphohydrolase
R00515	CTP + H2O <=> CMP + Diphosphate	CTP diphosphohydrolase (diphosphate-forming)
R00516	UTP + Cytidine <=> UDP + CMP	UTP:cytidine 5'-phosphotransferase
R00517	GTP + Cytidine <=> GDP + CMP	GTP:cytidine 5'-phosphotransferase
R00962	ITP + Cytidine <=> IDP + CMP	ITP:cytidine 5'-phosphotransferase
R01548	dATP + Cytidine <=> dADP + CMP	dATP:cytidine 5'-phosphotransferase
R02091	dGTP + Cytidine <=> dGDP + CMP	dGTP:cytidine 5'-phosphotransferase
R02096	dTTP + Cytidine <=> dTDP + CMP	dTTP:cytidine 5'-phosphotransferase
R02371	dCTP + Cytidine <=> dCDP + CMP	dCTP:cytidine 5'-phosphotransferase
R02372	dUTP + Cytidine <=> dUDP + CMP	dUTP:cytidine 5'-phosphotransferase

Table of KEGG human pathways containing CMP

Pathway ID	Human Pathway	# of reactions
hsa00240	Pyrimidine metabolism	6
hsa01100	Metabolic pathways	2
hsa01232	Nucleotide metabolism	2