7,8-dihydromonapterin triphosphate (PAMDB110726)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110726
Identification
Name: 7,8-dihydromonapterin triphosphate
Description:The organophosphate oxoanion that is the tetraanion of 7,8-dihydromonapterin 3-triphosphate; the major species at pH 7.3.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • H2MTP
  • 6-(L-threo-1',2',3'-trihydroxypropyl)-7,8-dihydropterin-3'-triphosphate
  • dihydromonapterin-triphosphate
Chemical Formula: C9H12N5O13P3
Average Molecular Weight: 491.14
Monoisotopic Molecular Weight: 494.9957451569
InChI Key: DGGUVLXVLHAAGT-NJGYIYPDSA-J
InChI: InChI=1S/C9H16N5O13P3/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-25-29(21,22)27-30(23,24)26-28(18,19)20/h4,6,15-16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H4,10,11,13,14,17)/p-4/t4-,6-/m0/s1
CAS number: Not Available
IUPAC Name:(2S,3S)-3-(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)-2,3-dihydroxypropyl triphosphate
Traditional IUPAC Name: Not Available
SMILES:C1(NC2(N=C(N)NC(=O)C(N=C1C(O)C(O)COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)[O-])=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
  • Secondary aliphatic/aromatic amine
  • Pyrimidone
  • Organic phosphoric acid derivative
  • Alkyl phosphate
  • Pyrimidine
  • Phosphoric acid ester
  • Heteroaromatic compound
  • Vinylogous amide
  • 1,2-diol
  • Ketimine
  • Secondary alcohol
  • Azacycle
  • Secondary amine
  • Organic nitrogen compound
  • Alcohol
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Imine
  • Organic oxide
  • Organic oxygen compound
  • Amine
  • Organic anion
  • Aromatic heteropolycyclic compound
Molecular Framework Aromatic heteropolycyclic compounds
External Descriptors
  • a small molecule (DIHYDRONEOPTERIN-P3)
Physical Properties
State: Not Available
Charge:-4
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight491.138 g/molPubChem
XLogP3-AA-6.9 PubChem
Hydrogen Bond Donor Count5 PubChem
Hydrogen Bond Acceptor Count15 PubChem
Rotatable Bond Count8 PubChem
Exact Mass490.964 g/molPubChem
Monoisotopic Mass490.964 g/molPubChem
Topological Polar Surface Area304 A^2PubChem
Heavy Atom Count30 PubChem
Formal Charge-4 PubChem
Complexity928 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:
Pathways:
    Spectra
    Spectra: Not Available
    References
    References:
    • Haussmann C, Rohdich F, Lottspeich F, Eberhardt S, Scheuring J, Mackamul S, Bacher A (1997)Dihydroneopterin triphosphate epimerase of Escherichia coli: purification, genetic cloning, and expression. Journal of bacteriology 179, Pubmed: 9006053
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    ChEBI61186
    IAF12602387745
    PubChem25203084