Record Information
Version1.0
Creation date2015-10-09 22:29:33 UTC
Update date2017-01-19 02:36:18 UTC
FoodComEx IDPC000263
FoodDB RecordFDB005613
Chemical Information
NamePterin
DescriptionPterin is a chemical compound composed of a pyrazine ring and a pyrimidine ring; Pterin is a heterocyclic compound composed of a pyrazine ring and a pyrimidine ring (a pteridine ring system); the pyrimidine ring has a carbonyl oxygen and an amino group. Several tautomers of pterin exist and are shown below. As a group, pterins are compounds that are derivatives of 2-amino-4-oxopteridine, with additional functional groups attached to the pyrazine ring.; the pyrimidine ring has a carbonyl oxygen and an amino group. Several tautomers of pterin exist and are shown below. Pterin belongs to the pteridine family of heterocycles. -- Wikipedia. Pterin is found in soy bean.
CAS Number2236-60-4
Structure
Thumb
Synonyms
SynonymSource
2-amino-1H-pteridin-4-onebiospider
2-amino-3H-pteridin-4-onebiospider
2-Amino-4-hydroxypteridinebiospider
2-Amino-4-oxodihydropteridinebiospider
2-Amino-4-oxopteridinebiospider
2-amino-4-pteridinolbiospider
2-Amino-4-pteridonebiospider
2-Amino-4(1H)-pteridinonebiospider
2-Amino-4(3H)-pteridinonebiospider
2-amino-Quinonoid dihydropterinbiospider
2-aminopteridin-4-olbiospider
2-Aminopteridin-4-onebiospider
2-aminopteridin-4(1H)-onebiospider
2-aminopteridin-4(3H)-onebiospider
4-Oxo-2-aminopteridinebiospider
4-Oxopterinbiospider
4(1H)-Pteridinone, 2-amino-biospider
4(3H)-pteridinone, 2-amino-biospider
H2-pterinbiospider
Pteridoxaminebiospider
Pterin (van)biospider
Pterinebiospider
Quinonoid dihydropterin, 2-amino-biospider
Chemical FormulaC6H5N5O
IUPAC name2-amino-3,4-dihydropteridin-4-one
InChI IdentifierInChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12)
InChI KeyHNXQXTQTPAJEJL-UHFFFAOYSA-N
Isomeric SMILESNC1=NC2=NC=CN=C2C(=O)N1
Average Molecular Weight163.1368
Monoisotopic Molecular Weight163.049409807
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPteridines and derivatives
Sub ClassPterins and derivatives
Direct ParentPterins and derivatives
Alternative Parents
Substituents
  • Pterin
  • Aminopyrimidine
  • Pyrimidone
  • Pyrazine
  • Pyrimidine
  • Heteroaromatic compound
  • Vinylogous amide
  • Azacycle
  • Amine
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water Solubility0.175 mg/mL at 20 oCBEILSTEIN
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 200 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 S605
Toronto Research Chemicals P839870