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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 19812
    role 19761
      biological role 19761
        xenobiotic 18442
          octane 2248
            octanol 5
              octan-1-ol 5
                monooctyl phthalate 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19708
                    p-block element atom 19708
                      carbon group element atom 19630
                        carbon atom 19620
                          organic molecular entity 19620
                            organic group 18728
                              organic divalent group 18719
                                organodiyl group 18719
                                  carbonyl group 18667
                                    carbonyl compound 18667
                                      carboxylic acid 18364
                                        aromatic carboxylic acid 11708
                                          benzoic acids 11681
                                            benzenedicarboxylic acid 7761
                                              phthalic acid 7485
                                                phthalate ester 7485
                                                  phthalic acid monoester 1183
                                                    monooctyl phthalate 3
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