RefMet Compound Details

RefMet ID	RM0040741
MW structure	37025 (View MW Metabolite Database details)
RefMet name	Deoxycytidine
Systematic name	4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one
SMILES	c1cn([C@H]2C[C@@H]([C@@H](CO)O2)O)c(=O)nc1N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
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
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
Super Class	Nucleic acids
Main Class	Pyrimidines
Sub Class	Pyrimidine deoxyribonucleosides
Pubchem CID	13711
ChEBI ID	15698
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