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ONTOLOGY REPORT - ANNOTATIONS


Term:isoprothiolane
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Accession:CHEBI:6047 term browser browse the term
Definition:A malonate ester that is diisopropyl malonate in which the two methylene hydrogens at position 2 are replaced by a 1,3-dithiolan-2-ylidene group. An insecticide and fungicide used to control a range of diseases including Pyricularia oryzae, Helminthosporium sigmoideum and Fusarium nivale.
Synonyms:exact_synonym: di(propan-2-yl) 1,3-dithiolan-2-ylidenemalonate
 related_synonym: Formula=C12H18O4S2;   InChI=1S/C12H18O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h7-8H,5-6H2,1-4H3;   InChIKey=UFHLMYOGRXOCSL-UHFFFAOYSA-N;   SMILES=CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1;   bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate;   di-isopropyl 1,3-dithiolane-2-ylidenemalonate;   diisopropyl 1,3-dithiolan-2-ylidenemalonate;   diisopropyl 2-(1,3-dithiolan-2-ylidene)malonate
 xref: Beilstein:2128528;   CAS:50512-35-1;   HMDB:HMDB0031779;   KEGG:C11111
 xref_mesh: MESH:C023889
 xref: PMID:19757109;   PMID:23500396;   PMID:23537300;   PMID:24617140;   PMID:2927019;   PPDB:408;   Pesticides:isoprothiolane;   Reaxys:2128528


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isoprothiolane term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Cyp3a62 cytochrome P450, family 3, subfamily a, polypeptide 62 JBrowse link 12 18,679,809 18,709,397 RGD:6480464
G Esr1 estrogen receptor 1 JBrowse link 1 41,192,029 41,594,799 RGD:6480464
G Nr1i2 nuclear receptor subfamily 1, group I, member 2 JBrowse link 11 65,022,100 65,058,546 RGD:6480464
G Pgr progesterone receptor JBrowse link 8 7,128,656 7,187,796 RGD:6480464
G Tff1 trefoil factor 1 JBrowse link 20 9,892,124 9,895,984 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19770
    role 19717
      chemical role 19251
        environmental contaminant 18588
          isoprothiolane 4
            isoprothiolane sulfoxide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19655
                    p-block element atom 19655
                      carbon group element atom 19548
                        carbon atom 19537
                          organic molecular entity 19537
                            organic group 18451
                              organic divalent group 18445
                                organodiyl group 18445
                                  carbonyl group 18346
                                    carbonyl compound 18346
                                      dicarboxylic acids and O-substituted derivatives 10249
                                        dicarboxylic acid 10242
                                          alpha,omega-dicarboxylic acid 2757
                                            malonic acid 58
                                              malonate ester 4
                                                isoprothiolane 4
                                                  isoprothiolane sulfoxide 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.