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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 3:123,595,018...123,607,549
Ensembl chr 3:123,595,560...123,607,352
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 2:193,565,401...193,574,297 JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19875
    role 19825
      biological role 19825
        xenobiotic 18454
          mono(5-carboxy-2-ethylpentyl) phthalate 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19875
    subatomic particle 19873
      composite particle 19873
        hadron 19873
          baryon 19873
            nucleon 19873
              atomic nucleus 19873
                atom 19873
                  main group element atom 19763
                    p-block element atom 19763
                      carbon group element atom 19668
                        carbon atom 19657
                          organic molecular entity 19657
                            organic group 18569
                              organic divalent group 18560
                                organodiyl group 18560
                                  carbonyl group 18468
                                    carbonyl compound 18468
                                      carboxylic acid 18142
                                        aromatic carboxylic acid 10919
                                          benzoic acids 10888
                                            benzenedicarboxylic acid 7693
                                              phthalic acid 7426
                                                phthalate ester 7426
                                                  phthalic acid monoester 1187
                                                    mono(5-carboxy-2-ethylpentyl) phthalate 2
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