RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0138923
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
Synonyms	PubChem Synonyms
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
Molecular descriptors
Molfile	37072 (Download molfile/View MW Metabolite Database details)
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
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)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Pyrimidines
Sub Class	Pyrimidine rNMP
Distribution of CMP 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 CMP
External Links
Pubchem CID	6131
ChEBI ID	17361
KEGG ID	C00055
HMDB ID	HMDB0000095
Chemspider ID	5901
MetaCyc ID	CMP
Spectral data for CMP 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 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