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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:Bisibuthiamine
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Accession:CHEBI:31290 term browser browse the term
Definition:An aminopyrimidine that has formula C32H46N8O6S2.
Synonyms:related_synonym: Formula=C32H46N8O6S2;   InChI=1S/C32H46N8O6S2/c1-19(2)31(43)45-11-9-27(21(5)39(17-41)15-25-13-35-23(7)37-29(25)33)47-48-28(10-12-46-32(44)20(3)4)22(6)40(18-42)16-26-14-36-24(8)38-30(26)34/h13-14,17-20H,9-12,15-16H2,1-8H3,(H2,33,35,37)(H2,34,36,38)/b27-21+,28-22+;   InChIKey=CKHJPWQVLKHBIH-GPAWKIAZSA-N;   SMILES=CC(C)C(=O)OCC\\C(SS\\C(CCOC(=O)C(C)C)=C(/C)N(Cc1cnc(C)nc1N)C=O)=C(\\C)N(Cc1cnc(C)nc1N)C=O;   Sulbutiamine;   bisibutiamine;   sulbuthiamine;   sulbutiamin;   vitaberin;   youvitan
 xref: CAS:3286-46-2;   Drug_Central:2494;   KEGG:C12750;   KEGG:D01319
 xref_mesh: MESH:C031331


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Bisibuthiamine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Havcr1 hepatitis A virus cellular receptor 1 multiple interactions EXP sulbutiamine inhibits the reaction [Streptozocin results in increased expression of HAVCR1 protein] CTD PMID:37224990 NCBI chr10:31,118,667...31,151,730
Ensembl chr10:31,119,088...31,151,698 		JBrowse link
G Il1b interleukin 1 beta multiple interactions EXP sulbutiamine inhibits the reaction [Streptozocin results in increased expression of IL1B protein] CTD PMID:37224990 NCBI chr 3:116,577,005...116,583,386
Ensembl chr 3:116,577,010...116,583,415 		JBrowse link
G Tgfb1 transforming growth factor, beta 1 multiple interactions EXP sulbutiamine inhibits the reaction [Streptozocin results in increased expression of TGFB1 protein] CTD PMID:37224990 NCBI chr 1:81,196,532...81,212,848
Ensembl chr 1:81,196,532...81,212,847 		JBrowse link
G Tlr4 toll-like receptor 4 multiple interactions EXP sulbutiamine inhibits the reaction [Streptozocin results in increased expression of TLR4 protein] CTD PMID:37224990 NCBI chr 5:80,145,867...80,159,501
Ensembl chr 5:80,145,826...80,159,628 		JBrowse link
G Tnf tumor necrosis factor multiple interactions EXP sulbutiamine inhibits the reaction [Streptozocin results in increased expression of TNF protein] CTD PMID:37224990 NCBI chr20:3,622,011...3,624,629
Ensembl chr20:3,622,011...3,624,629 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19890
    role 19839
      application 19703
        NMR chemical shift reference compound 18081
          ammonia 17860
            organic amino compound 17860
              aromatic amine 15475
                aminopyrimidine 2023
                  Bisibuthiamine 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19890
    subatomic particle 19867
      composite particle 19888
        hadron 19888
          baryon 19888
            nucleon 19867
              atomic nucleus 19888
                atom 19888
                  main group element atom 19806
                    main group molecular entity 19806
                      s-block molecular entity 19641
                        hydrogen molecular entity 19622
                          hydrides 19150
                            inorganic hydride 18152
                              pnictogen hydride 18164
                                nitrogen hydride 18055
                                  azane 17882
                                    ammonia 17860
                                      organic amino compound 17860
                                        aromatic amine 15475
                                          aminopyrimidine 2023
                                            Bisibuthiamine 5
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