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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:rifabutin
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Accession:CHEBI:45367 term browser browse the term
Definition:A rifamycin that has formula C46H62N4O11.
Synonyms:related_synonym: 1,4-Dihydro-1-deoxy-1',4-didehydro-5'-(2-methylpropyl)-1-oxorifamycin XIV;   4-Deoxo-3,4-(2-spiro(N-isobutyl-4-piperidyl)-2,5-dihydro-1H-imidazo)-rifamycin S;   4-N-isobutylspiropiperidylrifamycin S;   Formula=C46H62N4O11;   InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57)/b13-12+,20-15+,24-14-/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1;   InChIKey=ATEBXHFBFRCZMA-VXTBVIBXSA-N;   Mycobutin (TN);   SMILES=CO[C@H]1\\C=C\\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(NC(=O)\\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1NC5(CCN(CC5)CC(C)C)N=C1c4c3C2=O
 alt_id: CHEBI:45364;   CHEBI:8857
 xref: CAS:72559-06-9;   DrugBank:DB00615;   Drug_Central:2376;   KEGG:C07235;   KEGG:D00424;   KNApSAcK:C00027872
 xref_mesh: MESH:D017828
 xref: Wikipedia:Rifabutin


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rifabutin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Aadac arylacetamide deacetylase multiple interactions
decreases acetylation		 ISO AADAC mRNA affects the reaction [Rifabutin results in increased expression of CYP3A4 mRNA]; bis(4-nitrophenyl)phosphate inhibits the reaction [AADAC protein results in decreased acetylation of Rifabutin]; Isoflurophate inhibits the reaction [AADAC protein results in decreased acetylation of Rifabutin]; Phenylmethylsulfonyl Fluoride inhibits the reaction [AADAC protein results in decreased acetylation of Rifabutin]; Physostigmine inhibits the reaction [AADAC protein results in decreased acetylation of Rifabutin]; Sodium Fluoride inhibits the reaction [AADAC protein results in decreased acetylation of Rifabutin] CTD PMID:21856291 NCBI chr 2:144,163,436...144,186,086
Ensembl chr 2:144,135,319...144,174,734 		JBrowse link
G Abcb11 ATP binding cassette subfamily B member 11 decreases activity ISO Rifabutin results in decreased activity of ABCB11 protein CTD PMID:20829430 NCBI chr 3:54,016,854...54,112,797
Ensembl chr 3:54,017,127...54,112,730 		JBrowse link
G Abcb1a ATP binding cassette subfamily B member 1A increases expression ISO Rifabutin results in increased expression of ABCB1 mRNA CTD PMID:37285043 NCBI chr 4:25,357,467...25,529,941
Ensembl chr 4:25,158,362...25,442,709 		JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 increases expression
multiple interactions
affects activity		 ISO Rifabutin results in increased expression of CYP3A4 mRNA
AADAC mRNA affects the reaction [Rifabutin results in increased expression of CYP3A4 mRNA]
Rifabutin affects the activity of CYP3A4 protein		 CTD PMID:16837568 PMID:21856291 PMID:37285043 NCBI chr12:9,207,978...9,230,064
Ensembl chr12:9,015,383...9,285,008 		JBrowse link
G Nr1i2 nuclear receptor subfamily 1, group I, member 2 increases activity ISO Rifabutin results in increased activity of NR1I2 protein CTD PMID:37285043 NCBI chr11:62,460,213...62,496,665
Ensembl chr11:62,460,213...62,496,658 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19848
    role 19824
      biological role 19822
        antimicrobial agent 18193
          antibacterial agent 15635
            antibacterial drug 4420
              antimycobacterial drug 1041
                antitubercular agent 604
                  rifabutin 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19848
    subatomic particle 19846
      composite particle 19846
        hadron 19846
          baryon 19846
            nucleon 19846
              atomic nucleus 19846
                atom 19846
                  main group element atom 19796
                    p-block element atom 19796
                      carbon group element atom 19741
                        carbon atom 19737
                          organic molecular entity 19737
                            heteroorganic entity 19495
                              organochalcogen compound 19257
                                organooxygen compound 19175
                                  carbon oxoacid 18641
                                    carboxylic acid 18638
                                      carboacyl group 17697
                                        univalent carboacyl group 17697
                                          carbamoyl group 17547
                                            carboxamide 17547
                                              lactam 8394
                                                ansamycin 870
                                                  rifamycins 418
                                                    rifabutin 5
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