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ONTOLOGY REPORT - ANNOTATIONS


Term:irgarol 1051
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Accession:CHEBI:5962 term browser browse the term
Definition:A diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine carrying a N-tert-butyl, N'-cyclopropyl and a methylsulfanyl group at position 6.
Synonyms:exact_synonym: N-tert-butyl-N'-cyclopropyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine
 related_synonym: Cybutryne;   Formula=C11H19N5S;   InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16);   InChIKey=HDHLIWCXDDZUFH-UHFFFAOYSA-N;   SMILES=CSc1nc(NC2CC2)nc(NC(C)(C)C)n1
 xref: Beilstein:792218 "Beilstein";   CAS:28159-98-0 "ChemIDplus";   KEGG:C10927;   PMID:17136316 "Europe PMC";   PMID:22789406 "Europe PMC";   PMID:23722069 "Europe PMC";   PPDB:2747;   Reaxys:792218 "Reaxys"


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  CHEBI ontology 19716
    role 19663
      biological role 19661
        xenobiotic 18261
          irgarol 1051 0
Path 2
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  CHEBI ontology 19716
    subatomic particle 19712
      composite particle 19712
        hadron 19712
          baryon 19712
            nucleon 19712
              atomic nucleus 19712
                atom 19712
                  main group element atom 19598
                    main group molecular entity 19598
                      s-block molecular entity 19361
                        hydrogen molecular entity 19350
                          hydrides 18280
                            inorganic hydride 17204
                              pnictogen hydride 17166
                                nitrogen hydride 17003
                                  azane 16693
                                    ammonia 16690
                                      organic amino compound 16689
                                        polyamine 8076
                                          diamine 8003
                                            diamino-1,3,5-triazine 3674
                                              1,3,5-triazine-2,4-diamine 3654
                                                irgarol 1051 0
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