CHEBI:68590 - fidaxomicin

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ChEBI Name fidaxomicin
ChEBI ID CHEBI:68590
Definition An 18-membered macrolide that is a fermentation product obtained from the Actinomycete Dactylosporangium aurantiacum. A narrow spectrum antibiotic used for treatment of Clostridium difficile-related infections.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C52H74Cl2O18
Net Charge 0
Average Mass 1058.03900
Monoisotopic Mass 1056.42522
InChI InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)42(61)44(29(9)67-51)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)43(30)70-50-41(60)40(59)46(52(10,11)72-50)71-47(62)24(3)4/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17+/t28-,29-,30+,33+,34?,40-,41+,42+,43+,44-,45+,46+,50-,51-/m1/s1
InChIKey ZVGNESXIJDCBKN-KFGPIHIUSA-N
SMILES CC[C@H]1\C=C(C)\[C@@H](O)C\C=C\C=C(CO[C@@H]2O[C@H](C)[C@@H](OC(=O)c3c(O)c(Cl)c(O)c(Cl)c3CC)[C@H](O)[C@@H]2OC)\C(=O)OC(C\C=C(C)\C=C(C)\[C@@H]1O[C@@H]1OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]1O)[C@@H](C)O
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
EC 2.7.7.6 (RNA polymerase) inhibitor
An EC 2.7.7.* (nucleotidyltransferase) inhibitor that interferes with the action of RNA polymerase (EC 2.7.7.6).
antibacterial drug
A drug used to treat or prevent bacterial infections.
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via macrolide antibiotic )
Application(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
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ChEBI Ontology
Outgoing fidaxomicin (CHEBI:68590) has role antibacterial drug (CHEBI:36047)
fidaxomicin (CHEBI:68590) has role bacterial metabolite (CHEBI:76969)
fidaxomicin (CHEBI:68590) has role EC 2.7.7.6 (RNA polymerase) inhibitor (CHEBI:37416)
fidaxomicin (CHEBI:68590) is a carboxylic ester (CHEBI:33308)
fidaxomicin (CHEBI:68590) is a glycoside (CHEBI:24400)
fidaxomicin (CHEBI:68590) is a macrolide antibiotic (CHEBI:25105)
fidaxomicin (CHEBI:68590) is a organochlorine compound (CHEBI:36683)
fidaxomicin (CHEBI:68590) is a phenols (CHEBI:33853)
Synonyms Sources
Lipiarmicin ChemIDplus
Lipiarmycin ChemIDplus
OPT 80 ChemIDplus
OPT-80 ChemIDplus
PAR 101 ChemIDplus
PAR-101 ChemIDplus
Tiacumicin B ChemIDplus
Brand Name Source
Dificid KEGG DRUG
Manual Xrefs Databases
D09394 KEGG DRUG
Fidaxomicin Wikipedia
US2008269145 Patent
WO2006085838 Patent
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Registry Numbers Types Sources
12687773 Reaxys Registry Number Reaxys
873857-62-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
22 February 2017