RefMet Compound Details

RefMet ID	RM0042978
MW structure	37066 (View MW Metabolite Database details)
RefMet name	Deoxyguanosine
Systematic name	2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one
SMILES	C1[C@@H]([C@@H](CO)O[C@H]1n1cnc2c1nc(N)[nH]c2=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	267.096755 (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	C10H13N5O4	View other entries in RefMet with this formula
InChI	InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1
InChIKey	YKBGVTZYEHREMT-KVQBGUIXSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Nucleic acids
Main Class	Purines
Sub Class	Purine deoxyribonucleosides
Pubchem CID	135398592
ChEBI ID	17172
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Deoxyguanosine

Rxn ID	KEGG Reaction	Enzyme
R01967	ATP + Deoxyguanosine <=> ADP + dGMP	ATP:deoxyguanosine 5'-phosphotransferase
R01968	dGMP + H2O <=> Deoxyguanosine + Orthophosphate	2'-deoxyguanosine 5'-monophosphate phosphohydrolase
R01969	Deoxyguanosine + Orthophosphate <=> Guanine + 2-Deoxy-D-ribose 1-phosphate	Deoxyguanosine:orthophosphate ribosyltransferase

Table of KEGG human pathways containing Deoxyguanosine

Pathway ID	Human Pathway	# of reactions
hsa00230	Purine metabolism	3