RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0138921
RefMet name	AMP
Systematic name	{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
Synonyms	PubChem Synonyms
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
Molecular descriptors
Molfile	37043 (Download molfile/View MW Metabolite Database details)
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
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)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Purines
Sub Class	Purine rNMP
Distribution of AMP in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting AMP
External Links
Pubchem CID	6083
ChEBI ID	16027
KEGG ID	C00020
HMDB ID	HMDB0000045
Chemspider ID	5858
MetaCyc ID	AMP
Spectral data for AMP 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 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