OntologieschebiclassesCHEBI:68590   
JSON document
fidaxomicin
http://purl.obolibrary.org/obo/CHEBI_68590

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.

Also appears inmicroslmgenepiodron
Related Synonyms
Dificid
Lipiarmicin
Lipiarmycin
OPT 80
OPT-80
PAR 101
PAR-101
Tiacumicin B
class Information
charge

0

formula

C52H74Cl2O18

has_obo_namespace

chebi_ontology

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

in_subset

3_STAR

mass

1058.03900

monoisotopicmass

1056.42522

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

class Relations