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 1056.425
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.
View more via ChEBI Ontology
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
Database Links Databases
D09394 KEGG DRUG
Fidaxomicin Wikipedia
US2008269145 Patent
WO2006085838 Patent
View more database links
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