DET

UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE

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

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count0
Bond Count43
Aromatic Bond Count0
2D diagram of DET
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Chemical Component Summary

NameUNDECYLAMINE-N,N-DIMETHYL-N-OXIDE
Systematic Name (OpenEye OEToolkits)N,N-dimethylundecan-1-amine oxide
FormulaC13 H29 N O
Molecular Weight215.375
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04[O-][N+](CCCCCCCCCCC)(C)C
SMILESCACTVS3.341CCCCCCCCCCC[N+](C)(C)[O-]
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCC[N+](C)(C)[O-]
Canonical SMILESCACTVS3.341 CCCCCCCCCCC[N+](C)(C)[O-]
Canonical SMILESOpenEye OEToolkits1.5.0 CCCCCCCCCCC[N+](C)(C)[O-]
InChIInChI1.03 InChI=1S/C13H29NO/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15/h4-13H2,1-3H3
InChIKeyInChI1.03 OZHBUVQCJMARBN-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB07646 
NameUNDECYLAMINE-N,N-DIMETHYL-N-OXIDE
Groups experimental
SynonymsUNDECYLAMINE-N,N-DIMETHYL-N-OXIDE

Drug Targets

NameTarget SequencePharmacological ActionActions
Light-harvesting protein B-800/850 beta 1 chainMAERSLSGLTEEEAIAVHDQFKTTFSAFIILAAVAHVLVWVWKPWFunknown
Light-harvesting protein B-800/850 alpha chainMSNPKDDYKIWLVINPSTWLPVIWIVATVVAIAVHAAVLAAPGFNWIALG...unknown
Dihydroorotate dehydrogenase (quinone), mitochondrialMAWRHLKKRAQDAVIILGGGGLLFASYLMATGDERFYAEHLMPTLQGLLD...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 4112111