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ONTOLOGY REPORT - ANNOTATIONS


Term:benfotiamine
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Accession:CHEBI:41039 term browser browse the term
Definition:A thioester that is a synthetic analogue of thiamine obtained by acylative cleavage of the thiazole ring and O-phospohorylation.
Synonyms:exact_synonym: S-[2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-5-(phosphonooxy)pent-2-en-3-yl] benzenecarbothioate
 related_synonym: Benphothiamine;   Benzoylthiamine O-monophosphate;   Benzoylthiamine monophosphate;   Formula=C19H23N4O6PS;   InChI=1S/C19H23N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28);   InChIKey=BTNNPSLJPBRMLZ-UHFFFAOYSA-N;   N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide S-benzoate O-phosphate;   S-Benzoylthiamine O-monophosphate;   S-Benzoylthiamine monophosphate;   SMILES=[H]C(=O)N(Cc1cnc(C)nc1N)C(C)=C(CCOP(O)(O)=O)SC(=O)c1ccccc1;   benfotiamina;   benfotiaminum
 alt_id: CHEBI:31259
 xref: CAS:22457-89-2 "ChemIDplus";   KEGG:D01255;   LINCS:LSM-5213
 xref_mesh: MESH:C013835
 xref: PDBeChem:BFT;   PMID:21288652 "Europe PMC";   PMID:21511829 "Europe PMC";   PMID:21984258 "Europe PMC";   PMID:22067901 "Europe PMC";   PMID:22271422 "Europe PMC";   PMID:22402947 "Europe PMC";   PMID:22446172 "Europe PMC";   PMID:22527094 "Europe PMC";   PMID:22792314 "Europe PMC";   PMID:22961478 "Europe PMC";   PMID:22982063 "Europe PMC";   PMID:22997160 "Europe PMC";   PMID:23066179 "Europe PMC";   PMID:23091724 "Europe PMC";   PMID:23119057 "Europe PMC";   PMID:23278494 "Europe PMC";   PMID:23279611 "Europe PMC";   PMID:23292796 "Europe PMC";   PMID:23369791 "Europe PMC";   Patent:US2006045896;   Reaxys:771326 "Reaxys";   Wikipedia:Benfotiamine


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benfotiamine term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Gclm glutamate cysteine ligase, modifier subunit JBrowse link 2 225,827,504 225,847,876 RGD:6480464
G Gsr glutathione-disulfide reductase JBrowse link 16 62,197,617 62,239,987 RGD:6480464
G Hmox1 heme oxygenase 1 JBrowse link 19 14,508,634 14,515,455 RGD:6480464
G Il1b interleukin 1 beta JBrowse link 3 121,876,256 121,882,637 RGD:6480464
G Mapt microtubule-associated protein tau JBrowse link 10 92,289,002 92,386,517 RGD:6480464
G Nfe2l2 nuclear factor, erythroid 2-like 2 JBrowse link 3 62,497,568 62,525,146 RGD:6480464
G Nos2 nitric oxide synthase 2 JBrowse link 10 66,188,290 66,221,621 RGD:6480464
G Nqo1 NAD(P)H quinone dehydrogenase 1 JBrowse link 19 38,422,210 38,437,103 RGD:6480464
G Ppargc1a PPARG coactivator 1 alpha JBrowse link 14 63,095,291 63,190,688 RGD:6480464
G Ptgs2 prostaglandin-endoperoxide synthase 2 JBrowse link 13 67,351,230 67,356,920 RGD:6480464
G Rela RELA proto-oncogene, NF-kB subunit JBrowse link 1 220,992,770 221,003,249 RGD:6480464
G Sod1 superoxide dismutase 1 JBrowse link 11 30,363,282 30,368,858 RGD:6480464
G Tkt transketolase JBrowse link 16 6,609,670 6,634,608 RGD:6480464
G Tnf tumor necrosis factor JBrowse link 20 5,189,382 5,192,000 RGD:6480464
G Txn1 thioredoxin 1 JBrowse link 5 75,049,735 75,057,731 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19748
    role 19695
      chemical role 19211
        antioxidant 14137
          benfotiamine 15
Path 2
Term Annotations click to browse term
  CHEBI ontology 19748
    subatomic particle 19744
      composite particle 19744
        hadron 19744
          baryon 19744
            nucleon 19744
              atomic nucleus 19744
                atom 19744
                  main group element atom 19628
                    p-block element atom 19628
                      carbon group element atom 19522
                        carbon atom 19516
                          organic molecular entity 19516
                            organic group 18426
                              organic divalent group 18418
                                organodiyl group 18418
                                  carbonyl group 18306
                                    carbonyl compound 18306
                                      carboxylic acid 17973
                                        carboacyl group 17082
                                          univalent carboacyl group 17082
                                            carbamoyl group 16811
                                              carboxamide 16811
                                                formamides 1347
                                                  benfotiamine 15
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