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ONTOLOGY REPORT - ANNOTATIONS


Term:iberin
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Accession:CHEBI:89494 term browser browse the term
Definition:An isothiocyanate that is 1-isothiocyanatopropane in which a hydrogen at position 3 has been replaced by a methylsulfinyl group. A glucosinolate hydrolysis product found in many members of the Brassicaceae family, it is a quorum-sensing inhibitor (QSI) of the bacterial pathogen Pseudomonas aeruginosa.
Synonyms:related_synonym: 1-Isothiocyanato-3-(methylsulfinyl)propane;   3-Isothiocyanatopropyl methyl sulfoxide;   Formula=C5H9NOS2;   IMSP;   InChI=1S/C5H9NOS2/c1-9(7)4-2-3-6-5-8/h2-4H2,1H3;   InChIKey=LELAOEBVZLPXAZ-UHFFFAOYSA-N;   Methylsulfinylpropylisothiocyanate;   SMILES=N(CCCS(C)=O)=C=S
 xref: AGR:IND20390343 "Europe PMC";   CAS:505-44-2 "ChemIDplus";   CAS:505-44-2 "NIST Chemistry WebBook";   FooDB:FDB023829;   HMDB:HMDB0006095
 xref_mesh: MESH:C082585
 xref: PMID:15740016 "Europe PMC";   PMID:16289008 "Europe PMC";   PMID:16931178 "Europe PMC";   PMID:17167713 "Europe PMC";   PMID:17273780 "Europe PMC";   PMID:17310076 "Europe PMC";   PMID:19489030 "Europe PMC";   PMID:22286987 "Europe PMC";   PMID:23403058 "Europe PMC";   PMID:25155599 "Europe PMC";   PMID:26679410 "Europe PMC";   PMID:8225130 "Europe PMC";   Reaxys:1722951 "Reaxys"


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iberin term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Cat catalase JBrowse link 3 93,379,872 93,412,058 RGD:6480464
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 JBrowse link 8 62,472,087 62,478,122 RGD:6480464
G Cyp1a2 cytochrome P450, family 1, subfamily a, polypeptide 2 JBrowse link 8 62,451,360 62,458,244 RGD:6480464
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 JBrowse link 12 11,641,500 11,677,818 RGD:6480464
G Gsr glutathione-disulfide reductase JBrowse link 16 62,197,617 62,239,987 RGD:6480464
G Gsta3 glutathione S-transferase alpha 3 JBrowse link 9 27,357,490 27,417,023 RGD:6480464
G Hmox1 heme oxygenase 1 JBrowse link 19 14,508,634 14,515,455 RGD:6480464
G Irak4 interleukin-1 receptor-associated kinase 4 JBrowse link 7 135,803,723 135,831,006 RGD:6480464
G Nfe2l2 nuclear factor, erythroid 2-like 2 JBrowse link 3 62,497,568 62,525,146 RGD:6480464
G Nqo1 NAD(P)H quinone dehydrogenase 1 JBrowse link 19 38,422,210 38,437,103 RGD:6480464
G Txnrd1 thioredoxin reductase 1 JBrowse link 7 26,946,124 26,984,400 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19669
    role 19613
      biological role 19611
        inhibitor 18059
          quorum sensing inhibitor 65
            iberin 11
Path 2
Term Annotations click to browse term
  CHEBI ontology 19669
    subatomic particle 19665
      composite particle 19665
        hadron 19665
          baryon 19665
            nucleon 19665
              atomic nucleus 19665
                atom 19665
                  main group element atom 19545
                    p-block element atom 19545
                      carbon group element atom 19428
                        carbon atom 19420
                          organic molecular entity 19420
                            heteroorganic entity 19003
                              organochalcogen compound 18718
                                organosulfur compound 14804
                                  sulfoxide 3041
                                    iberin 11
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.