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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 3:118,262,395...118,283,461
Ensembl chr 3:118,271,029...118,283,461
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 chr13:85,131,635...85,175,179
Ensembl chr13:85,124,977...85,175,178
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 1:237,938,521...237,976,238
Ensembl chr 1:237,693,094...238,057,596
JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 multiple interactions EXP
ISO
[CYP3A2 protein results in increased metabolism of mono-(2-ethylhexyl)phthalate] which results in increased chemical synthesis of mono(2-ethyl-5-hydroxyhexyl) phthalate
[CYP3A4 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 chr12:9,207,986...9,230,038
Ensembl chr12:9,015,383...9,285,008
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 2:178,888,688...178,912,731 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 chr11:16,201,163...16,201,256
Ensembl chr11:16,201,158...16,201,265
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 chr10:54,332,939...54,350,409
Ensembl chr10:54,332,941...54,351,057
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 chr14:78,519,894...78,526,927
Ensembl chr14:78,522,506...78,526,927
JBrowse link

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  CHEBI ontology 19821
    role 19769
      biological role 19769
        biochemical role 19389
          metabolite 19364
            xenobiotic metabolite 14478
              human xenobiotic metabolite 13864
                mono(2-ethyl-5-hydroxyhexyl) phthalate 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      carbon group element atom 19640
                        carbon atom 19630
                          organic molecular entity 19630
                            organic group 18737
                              organic divalent group 18728
                                organodiyl group 18728
                                  carbonyl group 18675
                                    carbonyl compound 18675
                                      carboxylic acid 18373
                                        aromatic carboxylic acid 11710
                                          benzoic acids 11683
                                            benzenedicarboxylic acid 7762
                                              phthalic acid 7486
                                                phthalate ester 7486
                                                  phthalic acid monoester 1183
                                                    mono(2-ethyl-5-hydroxyhexyl) phthalate 8
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