PE5

3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL

Created:	2004-07-22
Last modified:	2020-05-27

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75 entries where PE5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	65
Chiral Atom Count	0
Bond Count	64
Aromatic Bond Count	0

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Chemical Component Summary
Name	3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL
Synonyms	2-(2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL; POLYETHYLENE GLYCOL PEG400
Systematic Name (OpenEye OEToolkits)	2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Formula	C₁₈ H₃₈ O₉
Molecular Weight	398.489
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(CCOCCOCC)CCOCCOCCOCCOCCOCCO
SMILES	CACTVS	3.341	CCOCCOCCOCCOCCOCCOCCOCCOCCO
SMILES	OpenEye OEToolkits	1.5.0	CCOCCOCCOCCOCCOCCOCCOCCOCCO
Canonical SMILES	CACTVS	3.341	CCOCCOCCOCCOCCOCCOCCOCCOCCO
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI	InChI	1.03	InChI=1S/C18H38O9/c1-2-20-5-6-22-9-10-24-13-14-26-17-18-27-16-15-25-12-11-23-8-7-21-4-3-19/h19H,2-18H2,1H3
InChIKey	InChI	1.03	CUDPPTPIUWYGFI-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03556
Name	2-(2-{2-[2-(2-{2-[2-(2-Ethoxy-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)-Ethanol, Polyethyleneglycol Peg400
Groups	experimental
Synonyms	2-(2-{2-[2-(2-{2-[2-(2-Ethoxy-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)-Ethanol, Polyethyleneglycol Peg400

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Carbonyl reductase [NADPH] 1	MSSGIHVALVTGGNKGIGLAIVRDLCRLFSGDVVLTARDVTRGQAAVQQL...	unknown
DevB protein	MINHKIFPTADAVVKSLADDMLAYSQQGQPVHISLSGGSTPKMLFKLLAS...	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