7,8-dihydromonapterin (PAMDB120511)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB120511
Identification
Name: 7,8-dihydromonapterin
Description:A dihydropterin that is monapterin dihydrogenated at positions 7 and 8.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • 7,8-dihydromonapterin
  • DHM
  • H2-MPt
Chemical Formula: C9H13N5O4
Average Molecular Weight: 255.233
Monoisotopic Molecular Weight: 255.09676
InChI Key: YQIFAMYNGGOTFB-NJGYIYPDSA-N
InChI:InChI=1S/C9H13N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,6,15-17H,1-2H2,(H4,10,11,13,14,18)/t4-,6-/m0/s1
CAS number: Not Available
IUPAC Name:2-amino-6-[(1S,2S)-1,2,3-trihydroxypropyl]-7,8-dihydropteridin-4(3H)-one
Traditional IUPAC Name: Not Available
SMILES:C1(NC2(N=C(N)NC(=O)C(N=C1C(O)C(O)CO)=2))
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as biopterins and derivatives. These are coenzymes containing a 2-amino-pteridine-4-one derivative. They are mainly synthesized in several parts of the body, including the pineal gland.
Kingdom Organic compounds
Super ClassOrganoheterocyclic compounds
Class Pteridines and derivatives
Sub ClassPterins and derivatives
Direct Parent Biopterins and derivatives
Alternative Parents
Substituents
  • Biopterin
  • Aminopyrimidine
  • Pyrimidone
  • Secondary aliphatic/aromatic amine
  • Pyrimidine
  • Vinylogous amide
  • Heteroaromatic compound
  • Ketimine
  • Secondary alcohol
  • Azacycle
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Secondary amine
  • Polyol
  • Amine
  • Organopnictogen compound
  • Primary amine
  • Primary alcohol
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Imine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Alcohol
  • Aromatic heteropolycyclic compound
Molecular Framework Aromatic heteropolycyclic compounds
External Descriptors
  • a small molecule (DIHYDRO-NEO-PTERIN)
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight255.234 g/molPubChem
XLogP3-AA-3.3 PubChem
Hydrogen Bond Donor Count6 PubChem
Hydrogen Bond Acceptor Count6 PubChem
Rotatable Bond Count3 PubChem
Exact Mass255.097 g/molPubChem
Monoisotopic Mass255.097 g/molPubChem
Topological Polar Surface Area153 A^2PubChem
Heavy Atom Count18 PubChem
Formal Charge0 PubChem
Complexity470 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count2 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-dihydromonapterin → Glycolaldehyde + 6-Hydroxymethyl dihydropterin
Pathways:
    Spectra
    Spectra: Not Available
    References
    References:
    • Goyer A, Illarionova V, Roje S, Fischer M, Bacher A, Hanson AD (2004)Folate biosynthesis in higher plants. cDNA cloning, heterologous expression, and characterization of dihydroneopterin aldolases. Plant physiology 135, Pubmed: 15107504
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    CHEBI71175
    PUBCHEM45479435