OntologiesdronclassesCHEBI:4309   
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dalfopristinImported
http://purl.obolibrary.org/obo/CHEBI_4309

A macrolide that is pristinamycin IIA in which the double bond between positions 26 and 26a of the pyrroline ring has been reduced and position 26R carries a [2-(diethylamino)ethyl]sulfonyl group. It is a semi-synthetic streptogramin antibiotic and often used as a mixture with quinupristin for the treatment of vancomycin-resistant Enterococcus faecium.

Defined bychebi
Also appears inslmgenepio
Exact Synonyms
(3R,4R,5E,10E,12E,14S,26R,26aS)-26-{[2-(diethylamino)ethyl]sulfonyl}-14-hydroxy-4,12-dimethyl-3-(propan-2-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone
Related Synonyms
dalfopristin
dalfopristina
dalfopristine
dalfopristinum
RP 54476
RP-54476
RP54476
class Information
charge

0

formula

C34H50N4O9S

has_alternative_id

CHEBI_42127chebi

has_obo_namespace

chebi_ontology

has_RxCUI

229369

inchi

InChI=1S/C34H50N4O9S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b10-9+,12-11+,23-18+/t24-,25-,28-,31-,32-/m1/s1

inchikey

SUYRLXYYZQTJHF-VMBLUXKRSA-N

in_subset

3_STAR

mass

690.850

monoisotopicmass

690.32985

smiles

[H][C@]12[C@@H](CCN1C(=O)C1=COC(CC(=O)C[C@H](O)\C=C(/C)\C=C\CNC(=O)\C=C\[C@@H](C)[C@H](OC2=O)C(C)C)=N1)S(=O)(=O)CCN(CC)CC

class Relations