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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:mono(5-carboxy-2-ethylpentyl) phthalate
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Accession:CHEBI:132611 term browser browse the term
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.
Synonyms:exact_synonym: 2-{[(5-carboxy-2-ethylpentyl)oxy]carbonyl}benzoic acid
 related_synonym: 1,2-benzenedicarboxylic acid, mono(5-carboxy-2-ethylpentyl) ester;   2-ethyl-5-carboxypentyl phthalate;   Formula=C16H20O6;   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);   InChIKey=XFGRNAPKLGXDGF-UHFFFAOYSA-N;   MECPP;   SMILES=C=1C=CC(=C(C1)C(=O)OCC(CC)CCCC(=O)O)C(=O)O;   phthalic acid, mono(5-carboxy-2-ethylpentyl) ester
 xref: CAS:40809-41-4
 xref_mesh: MESH:C051450
 xref: PMID:26545148;   PMID:26581034;   PMID:26608625;   PMID:26722670;   PMID:27187434



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mono(5-carboxy-2-ethylpentyl) phthalate term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Adam33 ADAM metallopeptidase domain 33 multiple interactions ISO [[Endocrine Disruptors results in increased abundance of 2-ethyl-5-carboxypentyl phthalate] which results in increased methylation of ADAM33 intron] which results in increased expression of ADAM33 mRNA CTD PMID:30226539 NCBI chr 3:118,262,395...118,283,461
Ensembl chr 3:118,271,029...118,283,461
JBrowse link
G Flg filaggrin multiple interactions ISO [FLG gene polymorphism affects the susceptibility to Diethylhexyl Phthalate] which affects the abundance of 2-ethyl-5-carboxypentyl phthalate CTD PMID:24380925 NCBI chr 2:178,888,688...178,912,731 JBrowse link

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Term Annotations click to browse term
  CHEBI ontology 20059
    role 20009
      biological role 20008
        xenobiotic 18633
          mono(5-carboxy-2-ethylpentyl) phthalate 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 20059
    subatomic particle 20056
      composite particle 20056
        hadron 20056
          baryon 20056
            nucleon 20056
              atomic nucleus 20056
                atom 20056
                  main group element atom 19956
                    p-block element atom 19956
                      carbon group element atom 19882
                        carbon atom 19873
                          organic molecular entity 19873
                            organic group 18943
                              organic divalent group 18928
                                organodiyl group 18928
                                  carbonyl group 18877
                                    carbonyl compound 18877
                                      carboxylic acid 18565
                                        aromatic carboxylic acid 11796
                                          benzoic acids 11771
                                            benzenedicarboxylic acid 7777
                                              phthalic acid 7503
                                                phthalate ester 7503
                                                  phthalic acid monoester 1190
                                                    mono(5-carboxy-2-ethylpentyl) phthalate 2
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