RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0018303
RefMet name	Guanine
Systematic name	2-amino-6,7-dihydro-3H-purin-6-one
Synonyms	PubChem Synonyms
Exact mass	151.049410 (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	C5H5N5O	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37093 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
InChIKey	UYTPUPDQBNUYGX-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1nc2c([nH]1)nc(N)[nH]c2=O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Purines
Sub Class	Hypoxanthines
Distribution of Guanine 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 Guanine
External Links
Pubchem CID	135398634
ChEBI ID	16235
KEGG ID	C00242
HMDB ID	HMDB0000132
Chemspider ID	744
MetaCyc ID	GUANINE
EPA CompTox	DTXCID6031049
Spectral data for Guanine 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 Guanine

Rxn ID	KEGG Reaction	Enzyme
R01229	GMP + Diphosphate <=> Guanine + 5-Phospho-alpha-D-ribose 1-diphosphate	GMP:diphosphate 5-phospho-alpha-D-ribosyltransferase
R01676	Guanine + H2O <=> Xanthine + Ammonia	Guanine aminohydrolase
R01677	Guanosine + H2O <=> Guanine + D-Ribose	Guanosine ribohydrolase
R01969	Deoxyguanosine + Orthophosphate <=> Guanine + 2-Deoxy-D-ribose 1-phosphate	Deoxyguanosine:orthophosphate ribosyltransferase
R02147	Guanosine + Orthophosphate <=> Guanine + alpha-D-Ribose 1-phosphate	guanosine:phosphate alpha-D-ribosyltransferase

Table of KEGG human pathways containing Guanine

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