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CHEBI:185284 - Trimethyl({2-[4-(2-{4-[2-(trimethylazaniumyl)ethoxy]phenyl}pentyl)phenoxy]ethyl})azanium diiodide

ChEBI IDCHEBI:185284
ChEBI NameTrimethyl({2-[4-(2-{4-[2-(trimethylazaniumyl)ethoxy]phenyl}pentyl)phenoxy]ethyl})azanium diiodide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H44N2O2.2I
Net Charge0
Average Mass682.469
Monoisotopic Mass682.14922
SMILESCCCC(Cc1ccc(OCC[N+](C)(C)C)cc1)c1ccc(OCC[N+](C)(C)C)cc1.[I-].[I-]
InChIInChI=1S/C27H44N2O2.2HI/c1-8-9-25(24-12-16-27(17-13-24)31-21-19-29(5,6)7)22-23-10-14-26(15-11-23)30-20-18-28(2,3)4;;/h10-17,25H,8-9,18-22H2,1-7H3;2*1H/q+2;;/p-2
InChIKeyGUFOYWWEQUKYHB-UHFFFAOYSA-L
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
Trimethyl({2-[4-(2-{4-[2-(trimethylazaniumyl)ethoxy]phenyl}pentyl)phenoxy]ethyl})azanium diiodide (CHEBI:185284) is a stilbenoid (CHEBI:26776)
IUPAC Name 
trimethyl-[2-[4-[1-[4-[2-(trimethylazaniumyl)ethoxy]phenyl]pentan-2-yl]phenoxy]ethyl]azanium;diiodide
Manual XrefsDatabases
HMDB0041563HMDB
54724ChemSpider
Registry NumbersSources
CAS:120526-90-1ChemIDplus