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CHEBI:87285 - ethyl 2-phenylethyl butylphosphonate

ChEBI IDCHEBI:87285
ChEBI Nameethyl 2-phenylethyl butylphosphonate
Stars
DefinitionA phosphonic ester obtained by the esterification of both the hydroxy groups of butylphosphonic acid with ethanol and 2-phenylethanol respectively.
Last Modified2 September 2015
Submitternamrata
DownloadsMolfile
FormulaC14H23O3P
Net Charge0
Average Mass270.309
Monoisotopic Mass270.13848
SMILESCCCCP(=O)(OCC)OCCc1ccccc1
InChIInChI=1S/C14H23O3P/c1-3-5-13-18(15,16-4-2)17-12-11-14-9-7-6-8-10-14/h6-10H,3-5,11-13H2,1-2H3
InChIKeyPQWBNCIKGJGHRR-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
ethyl 2-phenylethyl butylphosphonate (CHEBI:87285) has functional parent butylphosphonic acid (CHEBI:41384)
ethyl 2-phenylethyl butylphosphonate (CHEBI:87285) has role metabolite (CHEBI:25212)
ethyl 2-phenylethyl butylphosphonate (CHEBI:87285) is a phosphonic ester (CHEBI:37735)
IUPAC Name 
ethyl 2-phenylethyl butylphosphonate