ROI

7,8-DIHYDRO-7,7-DIMETHYL-6-HYDROXYPTERIN

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

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Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count0
Bond Count27
Aromatic Bond Count6
2D diagram of ROI
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Chemical Component Summary

Name7,8-DIHYDRO-7,7-DIMETHYL-6-HYDROXYPTERIN
Systematic Name (OpenEye OEToolkits)2-amino-6-hydroxy-7,7-dimethyl-3,8-dihydropteridin-4-one
FormulaC8 H11 N5 O2
Molecular Weight209.205
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1C=2N=C(O)C(NC=2N=C(N1)N)(C)C
SMILESCACTVS3.341CC1(C)NC2=C(N=C1O)C(=O)NC(=N2)N
SMILESOpenEye OEToolkits1.5.0CC1(C(=NC2=C(N1)N=C(NC2=O)N)O)C
Canonical SMILESCACTVS3.341 CC1(C)NC2=C(N=C1O)C(=O)NC(=N2)N
Canonical SMILESOpenEye OEToolkits1.5.0 CC1(C(=NC2=C(N1)N=C(NC2=O)N)O)C
InChIInChI1.03 InChI=1S/C8H11N5O2/c1-8(2)6(15)10-3-4(13-8)11-7(9)12-5(3)14/h1-2H3,(H,10,15)(H4,9,11,12,13,14)
InChIKeyInChI1.03 JMLQSLXEUWNWFI-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB02278 
Name7,8-dihydro-7,7-dimethyl-6-hydroxypterin
Groups experimental
Synonyms7,8-dihydro-7,7-dimethyl-6-hydroxypterin

Drug Targets

NameTarget SequencePharmacological ActionActions
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinaseMITAYIALGSNLNTPVEQLHAALKAISQLSNTHLVTTSSFYKSKPLGPQD...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 5289300, 3340355, 135403820