2-amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridine (PAMDB110729)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110729
Identification
Name: 2-amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridine
Description:Not Available
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:Not Available
Chemical Formula: C9H8N5O5
Average Molecular Weight: 266.19
Monoisotopic Molecular Weight: 267.0603684254
InChI Key: FQFUOHKFCAZONE-UHFFFAOYSA-N
InChI: InChI=1S/C9H8N5O5/c1-2(15)5(16)3-8(18)14(19)6-4(11-3)7(17)13-9(10)12-6/h8,18-19H,1H3,(H2,10,13,17)/q-1
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:CC(=O)C(=O)C1(C(N(O)C2(=NC(=NC(=O)[C-](N=1)2)N))O)
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
  • Alpha-diketone
  • Pyrimidine
  • Imidolactam
  • Heteroaromatic compound
  • Vinylogous amide
  • Ketimine
  • Ketone
  • Alkanolamine
  • Azacycle
  • N-organohydroxylamine
  • Hydrocarbon derivative
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxide
  • Organopnictogen compound
  • Imine
  • Carbonyl group
  • Organic oxygen compound
  • Organic nitrogen compound
  • Amine
  • Organic anion
  • Aromatic heteropolycyclic compound
Molecular Framework Aromatic heteropolycyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
3D Conformer25201503 PubChem
Molecular Weight266.193 g/molPubChem
XLogP3-AA-2.3 PubChem
Hydrogen Bond Donor Count3 PubChem
Hydrogen Bond Acceptor Count7 PubChem
Rotatable Bond Count2 PubChem
Exact Mass266.053 g/molPubChem
Monoisotopic Mass266.053 g/molPubChem
Topological Polar Surface Area161 A^2PubChem
Heavy Atom Count19 PubChem
Formal Charge-1 PubChem
Complexity590 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count0 PubChem
Undefined Atom Stereocenter Count1 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    PubChem25201503