Record Information
Version1.0
Creation date2015-10-09 22:33:27 UTC
Update date2017-01-19 02:36:41 UTC
FoodComEx IDPC000929
FoodDB RecordFDB028311
Chemical Information
Name3-Methyladenine
Description3-Methyladenine is one of the purines damaged by alkylation and oxidation which can be recognized and excised by the human 3-methyladenine DNA glycosylase (AAG) (EC: EC 3.2.2.21) [HMDB]. 3-Methyladenine is found in many foods, some of which are sacred lotus, evergreen huckleberry, swamp cabbage, and red rice.
CAS Number5142-23-4
Structure
Thumb
Synonyms
SynonymSource
3-Methyl-3H-adenineChEBI
3-methyl-3H-Purin-6-aminehmdb
3-methyl-3H-purin-6-amine (ACD/Name 4.0)hmdb
3-METHYL-3H-purin-6-ylamineChEBI
3-methyl-3H-purin-6-ylamine (ACD/Name 4.0)hmdb
3-methyl-Adeninehmdb
6-Amino-3-methylpurinehmdb
Chemical FormulaC6H7N5
IUPAC name3-methyl-3H-purin-6-amine
InChI IdentifierInChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,7H2,1H3
InChI KeyFSASIHFSFGAIJM-UHFFFAOYSA-N
Isomeric SMILESCN1C=NC(N)=C2N=CN=C12
Average Molecular Weight149.1533
Monoisotopic Molecular Weight149.070145249
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. 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 Parent6-aminopurines
Alternative Parents
Substituents
  • 6-aminopurine
  • Aminopyrimidine
  • Imidolactam
  • Pyrimidine
  • Heteroaromatic compound
  • Imidazole
  • Azole
  • Azacycle
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Primary amine
  • Organonitrogen compound
  • Amine
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 30 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci J11161
AKSci X5709
Cayman Chemical 13242
Glentham GL3599
iChemical 5142-23-4
MetaSci HMDB0011600
Toronto Research Chemicals M275904