RefMet Compound Details

MW structure	37863 (View MW Metabolite Database details)
RefMet name	CDP
Systematic name	[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
SMILES	c1cn([C@H]2[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)O)O2)O)O)c(=O)nc1N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	403.018188 (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	C9H15N3O11P2	View other entries in RefMet with this formula
InChI	InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10 ,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKey	ZWIADYZPOWUWEW-XVFCMESISA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Nucleic acids
Main Class	Pyrimidines
Sub Class	Pyrimidine rNDP
Pubchem CID	6132
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving CDP

Rxn ID	KEGG Reaction	Enzyme
R00512	ATP + CMP <=> ADP + CDP	ATP:CMP phosphotransferase
R00570	ATP + CDP <=> ADP + CTP	ATP:CDP phosphotransferase
R00514	CDP + H2O <=> CMP + Orthophosphate	CDP phosphohydrolase
R00569	CTP + H2O <=> CDP + Orthophosphate	CTP phosphohydrolase
R02024	dCDP + Thioredoxin disulfide + H2O <=> Thioredoxin + CDP	2'-Deoxycytidine diphosphate:oxidized-thioredoxin 2'-oxidoreductase

Table of KEGG human pathways containing CDP

Pathway ID	Human Pathway	# of reactions
hsa00240	Pyrimidine metabolism	5