RefMet Compound Details

RefMet ID	RM0138921
MW structure	37043 (View MW Metabolite Database details)
RefMet name	AMP
Systematic name	{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
SMILES	C([C@@H]1[C@H]([C@H]([C@H](n2cnc3c(N)ncnc23)O1)O)O)OP(=O)(O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	347.063088 (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	C10H14N5O7P	View other entries in RefMet with this formula
InChI	InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,1 8,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey	UDMBCSSLTHHNCD-KQYNXXCUSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Nucleic acids
Main Class	Purines
Sub Class	Purine rNMP
Pubchem CID	6083
ChEBI ID	16027
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving AMP

Rxn ID	KEGG Reaction	Enzyme
R00087	ATP + H2O <=> AMP + Diphosphate	ATP diphosphohydrolase (diphosphate-forming)
R00122	ADP + H2O <=> AMP + Orthophosphate	ADP phosphohydrolase
R00127	ATP + AMP <=> 2 ADP	ATP:AMP phosphotransferase
R00181	AMP + H2O <=> IMP + Ammonia	AMP aminohydrolase
R00182	AMP + H2O <=> Adenine + D-Ribose 5-phosphate	AMP phosphoribohydrolase
R00183	AMP + H2O <=> Adenosine + Orthophosphate	adenosine 5'-monophosphate phosphohydrolase
R00185	ATP + Adenosine <=> ADP + AMP	ATP:adenosine 5'-phosphotransferase
R00190	AMP + Diphosphate <=> Adenine + 5-Phospho-alpha-D-ribose 1-diphosphate	AMP:diphosphate phospho-D-ribosyltransferase
R00191	3',5'-Cyclic AMP + H2O <=> AMP	adenosine 3',5'-phosphate 5'-nucleotidohydrolase
R00333	Nucleoside triphosphate + AMP <=> NDP + ADP	nucleoside-triphosphate:AMP phosphotransferase
R01083	N6-(1,2-Dicarboxyethyl)-AMP <=> Fumarate + AMP	N6-(1,2-dicarboxyethyl)AMP AMP-lyase (fumarate-forming)
R10836	AMP + Orthophosphate <=> Adenine + D-Ribose 1,5-bisphosphate	AMP:phosphate (5-phospho-alpha-D-ribosyl)transferase

Table of KEGG human pathways containing AMP

Pathway ID	Human Pathway	# of reactions
hsa00230	Purine metabolism	10
hsa01100	Metabolic pathways	2
hsa00250	Alanine, aspartate and glutamate metabolism	1