RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0040741
RefMet name	Deoxycytidine
Systematic name	4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one
Synonyms	PubChem Synonyms
Exact mass	227.090607 (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	C9H13N3O4	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37025 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1
InChIKey	CKTSBUTUHBMZGZ-SHYZEUOFSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1cn([C@H]2C[C@@H]([C@@H](CO)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 deoxyribonucleosides
Distribution of Deoxycytidine in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting Deoxycytidine
External Links
Pubchem CID	13711
ChEBI ID	15698
KEGG ID	C00881
HMDB ID	HMDB0000014
Chemspider ID	13117
MetaCyc ID	DEOXYCYTIDINE
Spectral data for Deoxycytidine standards
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 Deoxycytidine

Rxn ID	KEGG Reaction	Enzyme
R01664	dCMP + H2O <=> Deoxycytidine + Orthophosphate	2'-deoxycytidine 5'-monophosphate phosphohydrolase
R01666	ATP + Deoxycytidine <=> ADP + dCMP	ATP:deoxycitidine 5'-phosphotransferase
R02485	Deoxycytidine + H2O <=> Deoxyuridine + Ammonia	deoxycytidine aminohydrolase

Table of KEGG human pathways containing Deoxycytidine

Pathway ID	Human Pathway	# of reactions
hsa00240	Pyrimidine metabolism	3