RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0042978
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
Synonyms	PubChem Synonyms
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
Molecular descriptors
Molfile	37066 (Download molfile/View MW Metabolite Database details)
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
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)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Purines
Sub Class	Purine deoxyribonucleosides
Distribution of Deoxyguanosine 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 Deoxyguanosine
External Links
Pubchem CID	135398592
ChEBI ID	17172
KEGG ID	C00330
HMDB ID	HMDB0000085
Chemspider ID	163230
MetaCyc ID	DEOXYGUANOSINE
Spectral data for Deoxyguanosine 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 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