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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:monohexyl phthalate
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Accession:CHEBI:132604 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 hexanol.
Synonyms:exact_synonym: 2-[(hexyloxy)carbonyl]benzoic acid
 related_synonym: 1,2-Benzenedicarboxylic acid, monohexyl ester;   2-(Hexyloxycarbonyl)benzoic acid;   Formula=C14H18O4;   Hexyl hydrogen phthalate;   InChI=1S/C14H18O4/c1-2-3-4-7-10-18-14(17)12-9-6-5-8-11(12)13(15)16/h5-6,8-9H,2-4,7,10H2,1H3,(H,15,16);   InChIKey=XOSNGXNHDRYFEF-UHFFFAOYSA-N;   SMILES=C1(=CC=CC=C1C(=O)OCCCCCC)C(=O)O;   mono-n-hexyl phthalate;   phthalic acid monohexyl ester
 xref: CAS:24539-57-9
 xref_mesh: MESH:C049841
 xref: PMID:3741483;   Reaxys:3301470


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monohexyl 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-hexyl 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-hexyl 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-hexyl 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
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19816
    role 19764
      application 19426
        solvent 16489
          non-polar solvent 8453
            hexane 425
              hexanol 4
                hexan-1-ol 4
                  monohexyl phthalate 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    p-block element atom 19702
                      carbon group element atom 19608
                        carbon atom 19597
                          organic molecular entity 19597
                            organic group 18537
                              organic divalent group 18530
                                organodiyl group 18530
                                  carbonyl group 18436
                                    carbonyl compound 18436
                                      carboxylic acid 18114
                                        aromatic carboxylic acid 10898
                                          benzoic acids 10867
                                            benzenedicarboxylic acid 7679
                                              phthalic acid 7415
                                                phthalate ester 7415
                                                  phthalic acid monoester 1181
                                                    monohexyl phthalate 3
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