RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0138946
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
Synonyms	PubChem Synonyms
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
Molecular descriptors
Molfile	37863 (Download molfile/View MW Metabolite Database details)
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
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)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Pyrimidines
Sub Class	Pyrimidine rNDP
Distribution of CDP 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 CDP
External Links
Pubchem CID	6132
ChEBI ID	17239
KEGG ID	C00112
HMDB ID	HMDB0001546
Chemspider ID	5902
MetaCyc ID	CDP
Spectral data for CDP 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 CDP

Rxn ID	KEGG Reaction	Enzyme
R00512	ATP + CMP <=> ADP + CDP	ATP:CMP phosphotransferase
R00514	CDP + H2O <=> CMP + Orthophosphate	CDP phosphohydrolase
R00569	CTP + H2O <=> CDP + Orthophosphate	CTP phosphohydrolase
R00570	ATP + CDP <=> ADP + CTP	ATP:CDP phosphotransferase
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