HHR

6-HYDROXYMETHYLPTERIN

Created: 2000-07-25
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count21
Chiral Atom Count0
Bond Count22
Aromatic Bond Count11
2D diagram of HHR
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Chemical Component Summary

Name6-HYDROXYMETHYLPTERIN
Systematic Name (OpenEye OEToolkits)2-amino-6-(hydroxymethyl)-3H-pteridin-4-one
FormulaC7 H7 N5 O2
Molecular Weight193.163
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1c2nc(cnc2N=C(N1)N)CO
SMILESCACTVS3.341NC1=Nc2ncc(CO)nc2C(=O)N1
SMILESOpenEye OEToolkits1.5.0c1c(nc2c(n1)N=C(NC2=O)N)CO
Canonical SMILESCACTVS3.341 NC1=Nc2ncc(CO)nc2C(=O)N1
Canonical SMILESOpenEye OEToolkits1.5.0 c1c(nc2c(n1)N=C(NC2=O)N)CO
InChIInChI1.03 InChI=1S/C7H7N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1,13H,2H2,(H3,8,9,11,12,14)
InChIKeyInChI1.03 XGWIBNWDLMIPNF-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB03197 
Name6-Hydroxymethylpterin
Groups experimental
Synonyms
  • 6-Hydroxymethylpterin
  • 6-(Hydroxymethyl)pterin
  • Pterin-6-methanol
  • Rana-pterin 3
  • 2-Amino-4-hydroxy-6-hydroxymethyl-pteridine
Categories
  • Biological Factors
  • Heterocyclic Compounds, Fused-Ring
  • Pigments, Biological
  • Pteridines
CAS number712-29-8

Drug Targets

NameTarget SequencePharmacological ActionActions
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinaseMTVAYIAIGSNLASPLEQVNAALKALGDIPESHILTVSSFYRTPPLGPQD...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 69736, 135415975, 5288552
ChEMBL CHEMBL101541