RefMet Compound Details

RefMet ID	RM0156433
MW structure	37495 (View MW Metabolite Database details)
RefMet name	dAMP
Systematic name	{[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid
SMILES	C1[C@@H]([C@@H](COP(=O)(O)O)O[C@H]1n1cnc2c(N)ncnc12)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	331.068173 (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	C10H14N5O6P	View other entries in RefMet with this formula
InChI	InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5- ,6+,7+/m0/s1
InChIKey	KHWCHTKSEGGWEX-RRKCRQDMSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Nucleic acids
Main Class	Purines
Sub Class	Purine dNMP
Pubchem CID	12599
ChEBI ID	17713
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving dAMP

Rxn ID	KEGG Reaction	Enzyme
R01547	ATP + dAMP <=> ADP + dADP	ATP:dAMP phosphotransferase
R02088	dAMP + H2O <=> Deoxyadenosine + Orthophosphate	2'-deoxyadenosine 5'-monophosphate phosphohydrolase
R02089	ATP + Deoxyadenosine <=> ADP + dAMP	ATP:deoxyadenosine 5'-phosphotransferase

Table of KEGG human pathways containing dAMP

Pathway ID	Human Pathway	# of reactions
hsa00230	Purine metabolism	3
hsa01100	Metabolic pathways	1
hsa01232	Nucleotide metabolism	1