CHEBI:87285 - ethyl 2-phenylethyl butylphosphonate

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ChEBI Name ethyl 2-phenylethyl butylphosphonate
ChEBI ID CHEBI:87285
Definition A phosphonic ester obtained by the esterification of both the hydroxy groups of butylphosphonic acid with ethanol and 2-phenylethanol respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H23O3P
Net Charge 0
Average Mass 270.30440
Monoisotopic Mass 270.13848
InChI InChI=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
InChIKey PQWBNCIKGJGHRR-UHFFFAOYSA-N
SMILES CCCCP(=O)(OCC)OCCc1ccccc1
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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
Last Modified
02 September 2015