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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(2-ethyl-5-hydroxyhexyl) phthalate
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Accession:CHEBI:132607 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 primary hydroxy group of 2-ethylhexane-1,5-diol
Synonyms:exact_synonym: 2-{[(2-ethyl-5-hydroxyhexyl)oxy]carbonyl}benzoic acid
 related_synonym: 1,2-Benzenedicarboxylic acid, mono(2-ethyl-5-hydroxyhexyl) ester;   Formula=C16H22O5;   InChI=1S/C16H22O5/c1-3-12(9-8-11(2)17)10-21-16(20)14-7-5-4-6-13(14)15(18)19/h4-7,11-12,17H,3,8-10H2,1-2H3,(H,18,19);   InChIKey=RYPQSGURZSTFSX-UHFFFAOYSA-N;   Mono(2-ethyl-5-hydroxyhexyl) 1,2-benzenedicarboxylate;   SMILES=C1(=CC=CC=C1C(=O)OCC(CC)CCC(C)O)C(=O)O;   phthalic acid mono(2-ethyl-5-hydroxyhexyl) ester
 xref: CAS:40321-99-1
 xref_mesh: MESH:C479069
 xref: PMID:26545148;   PMID:26608625;   PMID:26766535;   PMID:26987946;   PMID:27208644;   PMID:27372718;   Reaxys:9208635


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mono(2-ethyl-5-hydroxyhexyl) 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 mono(2-ethyl-5-hydroxyhexyl) 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 Crp C-reactive protein decreases expression ISO mono(2-ethyl-5-hydroxyhexyl) phthalate results in decreased expression of CRP protein CTD PMID:21349512 NCBI chr13:91,080,448...91,081,358
Ensembl chr13:91,054,974...91,093,713
JBrowse link
G Cyp2c6v1 cytochrome P450, family 2, subfamily C, polypeptide 6, variant 1 multiple interactions ISO
EXP
[CYP2C19 protein results in increased metabolism of mono-(2-ethylhexyl)phthalate] which results in increased chemical synthesis of mono(2-ethyl-5-hydroxyhexyl) phthalate
[CYP2C6V1 protein results in increased metabolism of mono-(2-ethylhexyl)phthalate] which results in increased chemical synthesis of mono(2-ethyl-5-hydroxyhexyl) phthalate
CTD PMID:22186153, PMID:23545481 NCBI chr 1:147,713,879...147,814,410
Ensembl chr 1:147,713,892...147,888,007
JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 multiple interactions EXP [CYP3A2 protein results in increased metabolism of mono-(2-ethylhexyl)phthalate] which results in increased chemical synthesis of mono(2-ethyl-5-hydroxyhexyl) phthalate CTD PMID:23545481 NCBI chr12:11,641,500...11,677,818
Ensembl chr12:11,655,402...11,733,136
JBrowse link
G Flg filaggrin multiple interactions ISO [FLG gene polymorphism affects the susceptibility to Diethylhexyl Phthalate] which affects the abundance of mono(2-ethyl-5-hydroxyhexyl) phthalate CTD PMID:24380925 NCBI chr 2:193,565,401...193,574,297 JBrowse link
G Mirlet7c1 microRNA let-7c-1 multiple interactions ISO [Diethylhexyl Phthalate results in increased abundance of mono(2-ethyl-5-hydroxyhexyl) phthalate] which affects the expression of MIRLET7C CTD PMID:30481674 NCBI chr11:16,052,873...16,052,966
Ensembl chr11:16,052,868...16,052,975
JBrowse link
G Shbg sex hormone binding globulin decreases secretion ISO mono(2-ethyl-5-hydroxyhexyl) phthalate results in decreased secretion of SHBG protein CTD PMID:24945889 NCBI chr10:56,219,861...56,237,354
Ensembl chr10:56,219,858...56,223,245
JBrowse link
G Tug1 taurine up-regulated 1 affects expression ISO mono(2-ethyl-5-hydroxyhexyl) phthalate affects the expression of TUG1 mRNA CTD PMID:29385630 NCBI chr14:83,878,757...83,885,791
Ensembl chr14:83,878,295...83,887,584
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      biological role 19734
        biochemical role 19282
          metabolite 19263
            xenobiotic metabolite 14043
              human xenobiotic metabolite 13294
                mono(2-ethyl-5-hydroxyhexyl) phthalate 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic group 18495
                              organic divalent group 18488
                                organodiyl group 18488
                                  carbonyl group 18391
                                    carbonyl compound 18391
                                      carboxylic acid 18061
                                        aromatic carboxylic acid 10889
                                          benzoic acids 10858
                                            benzenedicarboxylic acid 7673
                                              phthalic acid 7409
                                                phthalate ester 7409
                                                  phthalic acid monoester 1181
                                                    mono(2-ethyl-5-hydroxyhexyl) phthalate 8
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