RefMet Compound Details

RefMet ID	RM0049845
MW structure	37076 (View MW Metabolite Database details)
RefMet name	Deoxyadenosine
Systematic name	(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILES	C1[C@@H]([C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	251.101840 (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	C10H13N5O3	View other entries in RefMet with this formula
InChI	InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1
InChIKey	OLXZPDWKRNYJJZ-RRKCRQDMSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Nucleic acids
Main Class	Purines
Sub Class	Purine deoxyribonucleosides
Pubchem CID	13730
ChEBI ID	17256
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Deoxyadenosine

Rxn ID	KEGG Reaction	Enzyme
R02088	dAMP + H2O <=> Deoxyadenosine + Orthophosphate	2'-deoxyadenosine 5'-monophosphate phosphohydrolase
R02089	ATP + Deoxyadenosine <=> ADP + dAMP	ATP:deoxyadenosine 5'-phosphotransferase
R02556	Deoxyadenosine + H2O <=> Deoxyinosine + Ammonia	Deoxyadenosine aminohydrolase
R02557	Deoxyadenosine + Orthophosphate <=> Adenine + 2-Deoxy-D-ribose 1-phosphate	Deoxyadenosine:orthophosphate ribosyltransferase

Table of KEGG human pathways containing Deoxyadenosine

Pathway ID	Human Pathway	# of reactions
hsa00230	Purine metabolism	4
hsa01100	Metabolic pathways	1
hsa01232	Nucleotide metabolism	1