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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 7:116,832,405...116,900,878
Ensembl chr 7:116,832,756...116,895,346 		JBrowse link
G Ppard peroxisome proliferator-activated receptor delta affects binding ISO mono-n-octyl phthalate binds to PPARB protein CTD PMID:23843199 NCBI chr20:6,298,785...6,363,970
Ensembl chr20:6,298,785...6,363,968 		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 4:148,423,102...148,548,471
Ensembl chr 4:148,423,194...148,548,468 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19922
    role 19894
      chemical role 19495
        fuel additive 3257
          octan-1-ol 6
            monooctyl phthalate 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19922
    subatomic particle 19892
      composite particle 19892
        hadron 19920
          baryon 19892
            nucleon 19920
              atomic nucleus 19892
                atom 19892
                  main group element atom 19866
                    p-block element atom 19866
                      carbon group element atom 19805
                        carbon atom 19802
                          organic molecular entity 19775
                            heteroorganic entity 19556
                              organochalcogen compound 19315
                                organooxygen compound 19205
                                  carbon oxoacid 18694
                                    carboxylic acid 18691
                                      monocarboxylic acid 18007
                                        fatty acid 16847
                                          fatty acid derivative 8975
                                            fatty alcohol 6131
                                              medium-chain fatty alcohol 40
                                                octanol 6
                                                  octan-1-ol 6
                                                    monooctyl phthalate 3
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