RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0156433
RefMet name	dAMP
Systematic name	{[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid
Synonyms	PubChem Synonyms
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
Molecular descriptors
Molfile	37495 (Download molfile/View MW Metabolite Database details)
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
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)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Purines
Sub Class	Purine dNMP
Distribution of dAMP 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 dAMP
External Links
Pubchem CID	12599
ChEBI ID	17713
KEGG ID	C00360
HMDB ID	HMDB0000905
Chemspider ID	12079
MetaCyc ID	DAMP
Spectral data for dAMP 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 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