HAI

CYCLOHEXYLAMMONIUM ION

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

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Chemical Details

Formal Charge1
Atom Count21
Chiral Atom Count0
Bond Count21
Aromatic Bond Count0
2D diagram of HAI
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Chemical Component Summary

NameCYCLOHEXYLAMMONIUM ION
Systematic Name (OpenEye OEToolkits)cyclohexylazanium
FormulaC6 H14 N
Molecular Weight100.182
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04[NH3+]C1CCCCC1
SMILESCACTVS3.341[NH3+]C1CCCCC1
SMILESOpenEye OEToolkits1.5.0C1CCC(CC1)[NH3+]
Canonical SMILESCACTVS3.341 [NH3+]C1CCCCC1
Canonical SMILESOpenEye OEToolkits1.5.0 C1CCC(CC1)[NH3+]
InChIInChI1.03 InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2/p+1
InChIKeyInChI1.03 PAFZNILMFXTMIY-UHFFFAOYSA-O

Drug Info: DrugBank

DrugBank IDDB02995 
NameCyclohexylammonium Ion
Groups experimental
SynonymsCyclohexylammonium Ion

Drug Targets

NameTarget SequencePharmacological ActionActions
UDP-N-acetylglucosamine 1-carboxyvinyltransferaseMDKFRVQGPTRLQGEVTISGAKNAALPILFAALLAEEPVEIQNVPKLKDI...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 1549093, 70192317
ChEBI CHEBI:42939
CCDC/CSD GAFQEM, AZIQAB01, CYHACL02, FETZEJ01, ATIDOX02, ESEFEO, CHAPEP01, ANESAO, AMAPIO01, AFUQEZ, CYHACL01, CYHACL03, COLQAW, GOBPUK, AMAPIO, EVOKEG, HANQIW, FETZEJ, CHAPEP02, GULFUO01, COVVUG01, BOPTIM, AZIQAB, CHAEHP01, DUNPAF, BOKSUP, HIRVAG, BAVBAC, CUGKIB01, HAGVOC, BAPYUM, CIMFIN, CELFAA, AVILAT, HAXTUX, CELFEE, DAVGAK, GAWCOX, FAWLOF, FIWYUH, DUNNUX, CHAPEP10, ATIDOX01, BENNIU, EXUJEP, EHEGAC
COD 2239454, 7228823