RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0042981
RefMet name	dCDP
Systematic name	[({[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Synonyms	PubChem Synonyms
Exact mass	387.023273 (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	C9H15N3O10P2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37680 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C9H15N3O10P2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11, 14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKey	FTDHDKPUHBLBTL-SHYZEUOFSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1cn([C@H]2C[C@@H]([C@@H](COP(=O)(O)OP(=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 dNDP
Distribution of dCDP 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 dCDP
External Links
Pubchem CID	150855
ChEBI ID	28846
KEGG ID	C00705
HMDB ID	HMDB0001245
Chemspider ID	132961
MetaCyc ID	DCDP
Spectral data for dCDP standards
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 dCDP

Rxn ID	KEGG Reaction	Enzyme
R01665	ATP + dCMP <=> ADP + dCDP	ATP:dCMP phosphotransferase
R01667	dCDP + H2O <=> dCMP + Orthophosphate	dCDP nucleotidohydrolase
R02024	dCDP + Thioredoxin disulfide + H2O <=> Thioredoxin + CDP	2'-Deoxycytidine diphosphate:oxidized-thioredoxin 2'-oxidoreductase
R02326	ATP + dCDP <=> ADP + dCTP	ATP:dCDP phosphotransferase

Table of KEGG human pathways containing dCDP

Pathway ID	Human Pathway	# of reactions
hsa00240	Pyrimidine metabolism	4