fidaxomicin (CHEBI:68590)

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CHEBI:68590 - fidaxomicin

ChEBI ID	CHEBI:68590
ChEBI Name	fidaxomicin
Stars
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.
Last Modified	22 February 2017
Submitter	Steve
Downloads	Molfile

Formula	C52H74Cl2O18
Net Charge	0
Average Mass	1058.052
Monoisotopic Mass	1056.42522
SMILES	CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)O[C@H]1[C@H](O)[C@H](OC)[C@H](OC/C2=C\C=C\C[C@H](O)/C(C)=C/[C@H](CC)[C@@H](O[C@@H]3OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]3O)/C(C)=C/C(C)=C/CC([C@@H](C)O)OC2=O)O[C@@H]1C
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

Wikipedia

Roles Classification

Biological Roles:

bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria.

antibacterial drug A drug used to treat or prevent bacterial infections.

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).

antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.

Application:

antibacterial drug A drug used to treat or prevent bacterial infections.

ChEBI Ontology

Outgoing Relation(s)
	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	Source
OPT-80	ChemIDplus
PAR 101	ChemIDplus
Lipiarmicin	ChemIDplus
OPT 80	ChemIDplus
Tiacumicin B	ChemIDplus
Lipiarmycin	ChemIDplus

Brand Name	Source
Dificid	KEGG DRUG

Manual Xrefs	Databases
D09394	KEGG DRUG
US2008269145	Patent
WO2006085838	Patent
Fidaxomicin	Wikipedia

Registry Numbers	Sources
Reaxys:12687773	Reaxys
CAS:873857-62-6	ChemIDplus

Citations