Showing metabocard for 7-Methylguanine (BMDB0000897)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 22:38:15 UTC
Update Date2020-05-11 20:38:13 UTC
BMDB IDBMDB0000897
Secondary Accession Numbers
  • BMDB00897
Metabolite Identification
Common Name7-Methylguanine
Description7-Methylguanine, also known as N7-me-g, belongs to the class of organic compounds known as hypoxanthines. Hypoxanthines are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. 7-Methylguanine exists in all eukaryotes, ranging from yeast to plants to humans. Based on a literature review a significant number of articles have been published on 7-Methylguanine.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
2-Amino-1,7-dihydro-7-methyl-6H-purin-6-oneChEBI
2-Amino-7-methylhypoxanthineChEBI
N(7)-MethylguanineChEBI
2-Amino-1,7-dihydroxy-7-methyl-6H-purine-6-oneHMDB
2-Amino-6-hydroxy-7-methylpurineHMDB
7-Methyl-guanineHMDB
7-Methyl-guanine (8ci)HMDB
N-MethylguanineHMDB
N7-MethylguanineHMDB
7-Methylguanine, 14C-labeledHMDB
N2-MethylguanineHMDB
N7-Me-gHMDB
N(2)-MethylguanineHMDB
7-MethylguanineChEBI
Chemical FormulaC6H7N5O
Average Molecular Weight165.1527
Monoisotopic Molecular Weight165.065059871
IUPAC Name2-amino-7-methyl-6,7-dihydro-3H-purin-6-one
Traditional Name2-amino-7-methylhypoxanthine
CAS Registry Number578-76-7
SMILES
CN1C=NC2=C1C(=O)N=C(N)N2
InChI Identifier
InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)
InChI KeyFZWGECJQACGGTI-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as hypoxanthines. Hypoxanthines are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassImidazopyrimidines
Sub ClassPurines and purine derivatives
Direct ParentHypoxanthines
Alternative Parents
Substituents
  • 6-oxopurine
  • Hypoxanthine
  • Aminopyrimidine
  • Pyrimidone
  • N-substituted imidazole
  • Pyrimidine
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Vinylogous amide
  • Azacycle
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxide
  • Amine
  • Organopnictogen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cytoplasm
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point370 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-0.62ALOGPS
logP-0.37ChemAxon
logS-1.4ALOGPS
pKa (Strongest Acidic)9.35ChemAxon
pKa (Strongest Basic)2.07ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area85.3 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity43.8 m³·mol⁻¹ChemAxon
Polarizability15.41 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Leukocyte
  • Placenta
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
LeukocyteExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
 details
PlacentaExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
 details
Abnormal Concentrations
Not Available
HMDB IDHMDB0000897
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022305
KNApSAcK IDNot Available
Chemspider ID10883
KEGG Compound IDC02242
BioCyc IDCPD0-2377
BiGG IDNot Available
Wikipedia Link7-Methylguanine
METLIN IDNot Available
PubChem Compound11361
PDB IDNot Available
ChEBI ID28664
References
Synthesis ReferenceAdams, Benjamin L. De-D-ribosylation of 7-alkylpurine D-ribonucleosides by a reduction-displacement procedure. Conversion of 7-methylguanosine into 7-methylguanine. Nucleic Acid Chem. (1978), 2 615-17.
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available