RefMet Compound Details

MW structure	37660 (View MW Metabolite Database details)
RefMet name	dCMP
Systematic name	{[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid
SMILES	c1cn([C@H]2C[C@@H]([C@@H](COP(=O)(O)O)O2)O)c(=O)nc1N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	307.056940 (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	C9H14N3O7P	View other entries in RefMet with this formula
InChI	InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+ ,8+/m0/s1
InChIKey	NCMVOABPESMRCP-SHYZEUOFSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Nucleic acids
Main Class	Pyrimidines
Sub Class	Pyrimidine dNMP
Pubchem CID	13945
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving dCMP

Rxn ID	KEGG Reaction	Enzyme
R01664	dCMP + H2O <=> Deoxycytidine + Orthophosphate	2'-deoxycytidine 5'-monophosphate phosphohydrolase
R01668	dCTP + H2O <=> dCMP + Diphosphate	dCTP nucleotidohydrolase
R01666	ATP + Deoxycytidine <=> ADP + dCMP	ATP:deoxycitidine 5'-phosphotransferase
R01663	dCMP + H2O <=> dUMP + Ammonia	dCMP aminohydrolase
R01667	dCDP + H2O <=> dCMP + Orthophosphate	dCDP nucleotidohydrolase
R01665	ATP + dCMP <=> ADP + dCDP	ATP:dCMP phosphotransferase

Table of KEGG human pathways containing dCMP

Pathway ID	Human Pathway	# of reactions
hsa00240	Pyrimidine metabolism	6