PG3

GUANIDINE-3-PROPANOL

Created:2004-01-22
Last modified:  2011-06-04

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Chemical Details

Formal Charge1
Atom Count20
Chiral Atom Count0
Bond Count19
Aromatic Bond Count0
2D diagram of PG3

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Chemical Component Summary

NameGUANIDINE-3-PROPANOL
Systematic Name (OpenEye OEToolkits)[amino-(3-hydroxypropylamino)methylidene]azanium
FormulaC4 H12 N3 O
Molecular Weight118.158
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OCCCNC(=[NH2+])\N
SMILESCACTVS3.341NC(=[NH2+])NCCCO
SMILESOpenEye OEToolkits1.5.0C(CNC(=[NH2+])N)CO
Canonical SMILESCACTVS3.341 NC(=[NH2+])NCCCO
Canonical SMILESOpenEye OEToolkits1.5.0 C(CNC(=[NH2+])N)CO
InChIInChI1.03 InChI=1S/C4H11N3O/c5-4(6)7-2-1-3-8/h8H,1-3H2,(H4,5,6,7)/p+1
InChIKeyInChI1.03 JDXXTKLHHZMVIO-UHFFFAOYSA-O

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB03637 
NameGuanidine-3-propanol
Groups experimental
SynonymsGuanidine-3-propanol

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Trypsin-3MCGPDDRCPARWPGPGRAVKCGKGLAAARPGRVERGGAQRGGAGLELHPL...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 448503