RefMet Compound Details

RefMet ID	RM0049281
MW structure	37038 (View MW Metabolite Database details)
RefMet name	Adenine
Systematic name	7H-purin-6-amine
SMILES	c1nc2c(N)ncnc2[nH]1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	135.054495 (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	C5H5N5	View other entries in RefMet with this formula
InChI	InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKey	GFFGJBXGBJISGV-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Nucleic acids
Main Class	Purines
Sub Class	Aminopurines
Pubchem CID	190
ChEBI ID	16708
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Adenine

Rxn ID	KEGG Reaction	Enzyme
R00182	AMP + H2O <=> Adenine + D-Ribose 5-phosphate	AMP phosphoribohydrolase
R00190	AMP + Diphosphate <=> Adenine + 5-Phospho-alpha-D-ribose 1-diphosphate	AMP:diphosphate phospho-D-ribosyltransferase
R01245	Adenosine + H2O <=> Adenine + D-Ribose	Adenosine ribohydrolase
R01561	Adenosine + Orthophosphate <=> Adenine + alpha-D-Ribose 1-phosphate	adenosine:phosphate alpha-D-ribosyltransferase
R02557	Deoxyadenosine + Orthophosphate <=> Adenine + 2-Deoxy-D-ribose 1-phosphate	Deoxyadenosine:orthophosphate ribosyltransferase
R10836	AMP + Orthophosphate <=> Adenine + D-Ribose 1,5-bisphosphate	AMP:phosphate (5-phospho-alpha-D-ribosyl)transferase
R12987	Adenine + NAD+ + H2O <=> 8-Hydroxyadenine + NADH + H+	adenine:NAD+ oxidoreductase
R12989	Adenine + H2O + Oxygen <=> 8-Hydroxyadenine + Hydrogen peroxide	adenine:oxygen oxidoreductase

Table of KEGG human pathways containing Adenine

Pathway ID	Human Pathway	# of reactions
hsa00230	Purine metabolism	5
hsa01100	Metabolic pathways	3