Record Information
Version1.0
Creation date2015-10-09 22:29:36 UTC
Update date2017-01-19 02:36:18 UTC
FoodComEx IDPC000271
FoodDB RecordFDB007311
Chemical Information
NamePurine
DescriptionA purine is a heterocyclic aromatic organic compound, consisting of a pyrimidine ring fused to an imidazole ring. Purines, including substituted purines and their tautomers, are the most widely distributed kind of nitrogen-containing heterocycle in nature. Purine is found in many foods, some of which are triticale, chickpea, japanese persimmon, and wild carrot.
CAS Number120-73-0
Structure
Thumb
Synonyms
SynonymSource
{6H-imidazo[4,5-D]pyrimidine}HMDB
{7H-imidazo[4,} 5-D]pyrimidineHMDB
{Imidazo[4,5-D]pyrimidine}HMDB
1H-PurineHMDB
1H-Purine (9CI)biospider
3,5,7-Triazaindolebiospider
3H-purinebiospider
6H-Imidazo(4,5-d)pyrimidinebiospider
6H-Imidazo[4,5-D]pyrimidineHMDB
7H-Imidazo(4,5-d)pyrimidinebiospider
7H-Purinebiospider
9H-PurineHMDB
9H-Purine (VAN)biospider
beta-PurineHMDB
CaffedrineHMDB
DasinHMDB
DexitacHMDB
DiurexHMDB
DurvitanHMDB
Imidazo(4,5-D)pyrimidineHMDB
IsopurineHMDB
PhensalHMDB
Propoxyphene compound 65HMDB
Purine baseChEBI
Purine-ringbiospider
Chemical FormulaNot Available
IUPAC nameNot Available
InChI IdentifierInChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
InChI KeyKDCGOANMDULRCW-UHFFFAOYSA-N
Isomeric SMILESN1C=NC2=C1C=NC=N2
Average Molecular Weight120.1121
Monoisotopic Molecular Weight120.043596148
Chemical Taxonomy
Description Belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassImidazopyrimidines
Sub ClassPurines and purine derivatives
Direct ParentPurines and purine derivatives
Alternative Parents
Substituents
  • Purine
  • Pyrimidine
  • Heteroaromatic compound
  • Imidazole
  • Azole
  • Azacycle
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logP-0.37HANSCH,C ET AL. (1995)
Experimental Water Solubility500 mg/mL at 20 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting Point214 oC
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 500 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 G550
AKSci J94449
iChemical 120-73-0
MetaSci HMDB0001366
Sigma-Aldrich HMDB0001366