PH2

2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE

Created: 1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count0
Bond Count24
Aromatic Bond Count6
2D diagram of PH2
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Chemical Component Summary

Name2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE
Systematic Name (OpenEye OEToolkits)2-amino-6-(hydroxymethyl)-7,8-dihydro-3H-pteridin-4-one
FormulaC7 H9 N5 O2
Molecular Weight195.179
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1NC(=NC=2NCC(=NC1=2)CO)N
SMILESCACTVS3.341NC1=NC2=C(N=C(CO)CN2)C(=O)N1
SMILESOpenEye OEToolkits1.5.0C1C(=NC2=C(N1)N=C(NC2=O)N)CO
Canonical SMILESCACTVS3.341 NC1=NC2=C(N=C(CO)CN2)C(=O)N1
Canonical SMILESOpenEye OEToolkits1.5.0 C1C(=NC2=C(N1)N=C(NC2=O)N)CO
InChIInChI1.03 InChI=1S/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h13H,1-2H2,(H4,8,9,11,12,14)
InChIKeyInChI1.03 CQQNNQTXUGLUEV-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB02119 
Name6-Hydroxymethyl-7,8-Dihydropterin
Groups experimental
Synonyms6-Hydroxymethyl-7,8-Dihydropterin
Categories
  • Biological Factors
  • Heterocyclic Compounds, Fused-Ring
  • Pigments, Biological
  • Pteridines
CAS number3672-03-5

Drug Targets

NameTarget SequencePharmacological ActionActions
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinaseMTVAYIAIGSNLASPLEQVNAALKALGDIPESHILTVSSFYRTPPLGPQD...unknown
Dihydroneopterin aldolaseMQDTIFLKGMRFYGYHGALSAENEIGQIFKVDVTLKVDLSEAGRTDNVID...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 5280425, 218, 135398568
ChEMBL CHEMBL1233322
ChEBI CHEBI:17083, CHEBI:44841