RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135870
RefMet name	Adenosine
Systematic name	(2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Synonyms	PubChem Synonyms
Exact mass	267.096755 (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	C10H13N5O4	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37045 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/ s1
InChIKey	OIRDTQYFTABQOQ-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)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Purines
Sub Class	Purine ribonucleosides
Distribution of Adenosine in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting Adenosine
External Links
Pubchem CID	60961
ChEBI ID	16335
KEGG ID	C00212
HMDB ID	HMDB0000050
Chemspider ID	54923
MetaCyc ID	ADENOSINE
EPA CompTox	DTXCID10208873
Spectral data for Adenosine 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 Adenosine

Rxn ID	KEGG Reaction	Enzyme
R00183	AMP + H2O <=> Adenosine + Orthophosphate	adenosine 5'-monophosphate phosphohydrolase
R00185	ATP + Adenosine <=> ADP + AMP	ATP:adenosine 5'-phosphotransferase
R01245	Adenosine + H2O <=> Adenine + D-Ribose	Adenosine ribohydrolase
R01560	Adenosine + H2O <=> Inosine + Ammonia	Adenosine aminohydrolase
R01561	Adenosine + Orthophosphate <=> Adenine + alpha-D-Ribose 1-phosphate	adenosine:phosphate alpha-D-ribosyltransferase

Table of KEGG human pathways containing Adenosine

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