7,8-dihydropterin (PAMDB120285)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB120285
Identification
Name: 7,8-dihydropterin
Description:Not Available
Structure
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🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • dihydropterinH2-pterin
Chemical Formula: C6H7N5O
Average Molecular Weight: 165.154
Monoisotopic Molecular Weight: 165.06506
InChI Key: PXZWKVIXSKSCFR-UHFFFAOYSA-N
InChI:InChI=1S/C6H7N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1H,2H2,(H4,7,9,10,11,12)
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:C1(=NC2(=C(NC1)N=C(N)NC(=O)2))
Chemical Taxonomy
Taxonomy DescriptionThis compound 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.
Kingdom Organic compounds
Super ClassOrganoheterocyclic compounds
Class Pteridines and derivatives
Sub ClassPterins and derivatives
Direct Parent Pterins and derivatives
Alternative Parents
Substituents
  • Pterin
  • Aminopyrimidine
  • Pyrimidone
  • Secondary aliphatic/aromatic amine
  • Pyrimidine
  • Heteroaromatic compound
  • Vinylogous amide
  • Secondary amine
  • Propargyl-type 1,3-dipolar organic compound
  • Organic 1,3-dipolar compound
  • Azacycle
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Amine
  • Organic nitrogen compound
  • Imine
  • Aromatic heteropolycyclic compound
Molecular Framework Aromatic heteropolycyclic compounds
External Descriptors
  • a small molecule (CPD0-1718)
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight165.156 g/molPubChem
XLogP3-AA-1.7 PubChem
Hydrogen Bond Donor Count3 PubChem
Hydrogen Bond Acceptor Count3 PubChem
Rotatable Bond Count0 PubChem
Exact Mass165.065 g/molPubChem
Monoisotopic Mass165.065 g/molPubChem
Topological Polar Surface Area91.9 A^2PubChem
Heavy Atom Count12 PubChem
Formal Charge0 PubChem
Complexity327 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count0 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
7,8-dihydropterin + Water + Hydrogen ion → 7,8-dihydrolumazine + Ammonium
Pathways:
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    CHEMSPIDER58752
    PUBCHEM65260