P3G

3,6,9,12,15-PENTAOXAHEPTADECANE

Created: 2003-09-17
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count0
Bond Count42
Aromatic Bond Count0
2D diagram of P3G
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Chemical Component Summary

Name3,6,9,12,15-PENTAOXAHEPTADECANE
Systematic Name (OpenEye OEToolkits)1-ethoxy-2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethane
FormulaC12 H26 O5
Molecular Weight250.332
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O(CC)CCOCCOCCOCCOCC
SMILESCACTVS3.341CCOCCOCCOCCOCCOCC
SMILESOpenEye OEToolkits1.5.0CCOCCOCCOCCOCCOCC
Canonical SMILESCACTVS3.341 CCOCCOCCOCCOCCOCC
Canonical SMILESOpenEye OEToolkits1.5.0 CCOCCOCCOCCOCCOCC
InChIInChI1.03 InChI=1S/C12H26O5/c1-3-13-5-7-15-9-11-17-12-10-16-8-6-14-4-2/h3-12H2,1-2H3
InChIKeyInChI1.03 HYDWALOBQJFOMS-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB02343 
Name3,6,9,12,15-Pentaoxaheptadecane
Groups experimental
Synonyms3,6,9,12,15-Pentaoxaheptadecane
CAS number4353-28-0

Drug Targets

NameTarget SequencePharmacological ActionActions
Glutamate racemaseMKQAIGFIDSGVGGLTVVREVLKQLPHEQVYYLGDTARCPYGPRDKEEVA...unknown
AcetylcholinesteraseMRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRG...unknown
KynureninaseMTTRNDCLALDAQDSLAPLRQQFALPEGVIYLDGNSLGARPVAALARAQA...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 78057
ChEBI CHEBI:44751