Canmetcon
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Identification
YMDB IDYMDB16254
Name(2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl diphosphate
SpeciesNot Available
StrainBrewer's yeast
DescriptionNot Available
Structure
Thumb
Synonyms
  • (2-Amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl diphosphoric acid
  • (2-amino-4-Hydroxy-7,8-dihydropteridin-6-yl)methyl diphosphate trianion
  • (2-amino-4-Hydroxy-7,8-dihydropteridin-6-yl)methyl diphosphoric acid trianion
  • 6-Hydroxymethyl-dihydropterin diphosphoric acid
CAS numberNot Available
WeightAverage: 352.1146
Monoisotopic: 351.984810281
InChI KeyFCQGJGLSOWZZON-UHFFFAOYSA-K
InChIInChI=1S/C7H11N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1-2H2,(H,17,18)(H2,14,15,16)(H4,8,9,11,12,13)/p-3
IUPAC Name6-({[hydroxy(phosphonatooxy)phosphoryl]oxy}methyl)-2-imino-1,2,7,8-tetrahydropteridin-4-olate
Traditional IUPAC Name6-({[hydroxy(phosphonatooxy)phosphoryl]oxy}methyl)-2-imino-7,8-dihydro-1H-pteridin-4-olate
Chemical FormulaC7H8N5O8P2
SMILESOP(=O)(OCC1=NC2=C(NC1)NC(=N)N=C2[O-])OP([O-])([O-])=O
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
  • Organic pyrophosphate
  • Aminopyrimidine
  • Pyrimidone
  • Secondary aliphatic/aromatic amine
  • Organic phosphoric acid derivative
  • Alkyl phosphate
  • Phosphoric acid ester
  • Pyrimidine
  • Heteroaromatic compound
  • Vinylogous amide
  • Ketimine
  • Azacycle
  • Secondary amine
  • Organic oxygen compound
  • Primary amine
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Organopnictogen compound
  • Imine
  • Hydrocarbon derivative
  • Amine
  • Organic anion
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Physical Properties
StateNot Available
Charge-3
Melting pointNot Available
Experimental Properties
PropertyValueReference
Water SolubilityNot AvailablePhysProp
LogPNot AvailablePhysProp
Predicted Properties
PropertyValueSource
Water Solubility5.96 g/LALOGPS
logP-1.1ALOGPS
logP-5.1ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)-13ChemAxon
pKa (Strongest Basic)15ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area214.64 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity98.72 m³·mol⁻¹ChemAxon
Polarizability26.84 ųChemAxon
Number of Rings2ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular LocationsNot Available
Organoleptic PropertiesNot Available
SMPDB Pathways
tetrahydrofolate biosynthesisPW002417 ThumbThumb?image type=greyscaleThumb?image type=simple
KEGG PathwaysNot Available
SMPDB Reactions
2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4-ol + Adenosine triphosphateAdenosine monophosphate + hydron + (2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl diphosphate
(2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl diphosphate + 4-Aminobenzoic acidPyrophosphate + 7,8-Dihydropteroic acid
KEGG ReactionsNot Available
Concentrations
Intracellular ConcentrationsNot Available
Extracellular ConcentrationsNot Available
Spectra
Spectra
References
References:Not Available
Synthesis Reference:Not Available
External Links:
ResourceLink
CHEBI IDNot Available
HMDB IDNot Available
Pubchem Compound ID25244074
Kegg IDNot Available
ChemSpider IDNot Available
FOODB IDFDB030598
Wikipedia IDNot Available
BioCyc IDNot Available

Enzymes

General function:
Involved in dihydropteroate synthase activity
Specific function:
Catalyzes three sequential steps of tetrahydrofolate biosynthesis
Gene Name:
FOL1
Uniprot ID:
P53848
Molecular weight:
93119.10156
Reactions
2-amino-4-hydroxy-6-(D-erythro-1,2,3-trihydroxypropyl)-7,8-dihydropteridine → 2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine + glycolaldehyde.
ATP + 2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine → AMP + (2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl diphosphate.
(2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl diphosphate + 4-aminobenzoate → diphosphate + dihydropteroate.