CHEBI:132611 - mono(5-carboxy-2-ethylpentyl) phthalate

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ChEBI Name mono(5-carboxy-2-ethylpentyl) phthalate
Definition A phthalic acid monoester resulting from the formal condensation of one of the carboxy gruops of phthalic acid with the hydroxy group of 5-(hydroxymethyl)heptanoic acid. It is a urinary metabolite of diethylhexyl phthalate.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C16H20O6
Net Charge 0
Average Mass 308.327
Monoisotopic Mass 308.12599
InChI InChI=1S/C16H20O6/c1-2-11(6-5-9-14(17)18)10-22-16(21)13-8-4-3-7-12(13)15(19)20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,18)(H,19,20)
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application(s): endocrine disruptor
Any compound that can disrupt the functions of the endocrine (hormone) system
(via phthalate ester )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing mono(5-carboxy-2-ethylpentyl) phthalate (CHEBI:132611) has role xenobiotic (CHEBI:35703)
mono(5-carboxy-2-ethylpentyl) phthalate (CHEBI:132611) is a phthalic acid monoester (CHEBI:132610)
2-{[(5-carboxy-2-ethylpentyl)oxy]carbonyl}benzoic acid
Synonyms Sources
1,2-benzenedicarboxylic acid, mono(5-carboxy-2-ethylpentyl) ester ChemIDplus
2-ethyl-5-carboxypentyl phthalate ChemIDplus
phthalic acid, mono(5-carboxy-2-ethylpentyl) ester ChEBI
Registry Number Type Source
40809-41-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
26545148 PubMed citation Europe PMC
26581034 PubMed citation Europe PMC
26608625 PubMed citation Europe PMC
26722670 PubMed citation Europe PMC
27187434 PubMed citation Europe PMC
Last Modified
16 July 2016