RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136074
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
Synonyms	PubChem Synonyms
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
Molecular descriptors
Molfile	37660 (Download molfile/View MW Metabolite Database details)
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
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)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Pyrimidines
Sub Class	Pyrimidine dNMP
Distribution of dCMP 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 dCMP
External Links
Pubchem CID	13945
ChEBI ID	15918
KEGG ID	C00239
HMDB ID	HMDB0001202
Chemspider ID	13343
MetaCyc ID	DCMP
Spectral data for dCMP standards
NP-MRD ID(NMR)	View NMR 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 dCMP

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

Table of KEGG human pathways containing dCMP

Pathway ID	Human Pathway	# of reactions
hsa00240	Pyrimidine metabolism	6