CHEBI:45367 - rifabutin

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ChEBI Name rifabutin
ChEBI ID CHEBI:45367
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:45364, CHEBI:8857
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Formula C46H62N4O11
Net Charge 0
Average Mass 847.00484
Monoisotopic Mass 846.442
InChI 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
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
Roles Classification
Biological Role(s): antitubercular agent
A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
Application(s): antitubercular agent
A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing rifabutin (CHEBI:45367) has role antitubercular agent (CHEBI:33231)
rifabutin (CHEBI:45367) is a rifamycins (CHEBI:26580)
Synonyms Sources
1,4-Dihydro-1-deoxy-1',4-didehydro-5'-(2-methylpropyl)-1-oxorifamycin XIV ChemIDplus
4-Deoxo-3,4-(2-spiro(N-isobutyl-4-piperidyl)-2,5-dihydro-1H-imidazo)-rifamycin S ChemIDplus
4-N-isobutylspiropiperidylrifamycin S ChemIDplus
Mycobutin (TN) KEGG DRUG
Rifabutin KEGG COMPOUND
Rifabutin KEGG DRUG
Manual Xrefs Databases
2376 DrugCentral
C00027872 KNApSAcK
C07235 KEGG COMPOUND
D00424 KEGG DRUG
DB00615 DrugBank
Rifabutin Wikipedia
View more database links
Registry Numbers Types Sources
72559-06-9 CAS Registry Number KEGG COMPOUND
72559-06-9 CAS Registry Number ChemIDplus
Last Modified
22 February 2017