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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.
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This entity has been manually annotated by the ChEBI Team.
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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.
View more via ChEBI Ontology
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