AE4

3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL

Created: 2005-09-29
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 AE4
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Chemical Component Summary

Name3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL
Systematic Name (OpenEye OEToolkits)2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
FormulaC12 H26 O6
Molecular Weight266.331
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O(CCO)CCOCCOCCOCCOCC
SMILESCACTVS3.341CCOCCOCCOCCOCCOCCO
SMILESOpenEye OEToolkits1.5.0CCOCCOCCOCCOCCOCCO
Canonical SMILESCACTVS3.341 CCOCCOCCOCCOCCOCCO
Canonical SMILESOpenEye OEToolkits1.5.0 CCOCCOCCOCCOCCOCCO
InChIInChI1.03 InChI=1S/C12H26O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13/h13H,2-12H2,1H3
InChIKeyInChI1.03 NJRFAMBTWHGSDE-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB07344 
Name3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL
Groups experimental
Synonyms3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL

Drug Targets

NameTarget SequencePharmacological ActionActions
Malonyl-CoA-acyl carrier protein transacylase, mitochondrialMSVRVARVAWVRGLGASYRRGASSFPVPPPGAQGVAELLRDATGAEEEAP...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 78058