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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:monooctyl phthalate
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Accession:CHEBI:132583 term browser browse the term
Definition:A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of octanol.
Synonyms:related_synonym: 1,2-Benzenedicarboxylic acid, monooctyl ester;   2-(Octyloxycarbonyl)benzoic acid;   Formula=C16H22O4;   Hydrogen octyl phthalate;   InChI=1S/C16H22O4/c1-2-3-4-5-6-9-12-20-16(19)14-11-8-7-10-13(14)15(17)18/h7-8,10-11H,2-6,9,12H2,1H3,(H,17,18);   InChIKey=PKIYFBICNICNGJ-UHFFFAOYSA-N;   Phthalic acid, monooctyl ester;   Phthalic acid, octyl ester;   SMILES=C1(=CC=CC=C1C(=O)OCCCCCCCC)C(=O)O;   mono-n-octyl phthalate
 xref: CAS:5393-19-1
 xref_mesh: MESH:C041260
 xref: PMID:25496010;   PMID:25959523;   PMID:26362861;   PMID:26798652;   PMID:26878646;   Reaxys:2280185


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monooctyl phthalate term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ppara peroxisome proliferator activated receptor alpha affects binding ISO mono-n-octyl phthalate binds to PPARA protein CTD PMID:23843199 NCBI chr 7:126,618,872...126,687,282
Ensembl chr 7:126,619,196...126,681,752
JBrowse link
G Ppard peroxisome proliferator-activated receptor delta affects binding ISO mono-n-octyl phthalate binds to PPARB protein CTD PMID:23843199 NCBI chr20:7,818,289...7,883,482
Ensembl chr20:7,818,289...7,885,333
JBrowse link
G Pparg peroxisome proliferator-activated receptor gamma affects binding ISO mono-n-octyl phthalate binds to PPARG protein CTD PMID:23843199 NCBI chr 4:147,274,055...147,399,383
Ensembl chr 4:147,274,107...147,399,380
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19817
    role 19767
      biological role 19767
        xenobiotic 18424
          octane 2251
            octanol 6
              octan-1-ol 6
                monooctyl phthalate 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19817
    subatomic particle 19815
      composite particle 19815
        hadron 19815
          baryon 19815
            nucleon 19815
              atomic nucleus 19815
                atom 19815
                  main group element atom 19705
                    p-block element atom 19705
                      carbon group element atom 19614
                        carbon atom 19603
                          organic molecular entity 19603
                            organic group 18537
                              organic divalent group 18528
                                organodiyl group 18528
                                  carbonyl group 18435
                                    carbonyl compound 18435
                                      carboxylic acid 18113
                                        aromatic carboxylic acid 10914
                                          benzoic acids 10883
                                            benzenedicarboxylic acid 7689
                                              phthalic acid 7422
                                                phthalate ester 7422
                                                  phthalic acid monoester 1185
                                                    monooctyl phthalate 3
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