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CHEBI:755183 - quinupristin/dalfopristin

Default Structure
ChEBI IDCHEBI:755183
ChEBI Namequinupristin/dalfopristin
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC34H50N4O9S.C53H67N9O10S
Net Charge0
Average Mass1713.099
Monoisotopic Mass1711.80301
SMILES[H][C@@]1(CS[C@@H]2CN3CCC2CC3)CN2C(=O)[C@H](Cc3ccc(N(C)C)cc3)N(C)C(=O)[C@]3([H])CCCN3C(=O)[C@@H](CC)NC(=O)[C@@H](NC(=O)c3ncccc3O)[C@@H](C)OC(=O)[C@H](c3ccccc3)NC(=O)[C@]2([H])CC1=O.[H][C@@]12C(=O)O[C@H](C(C)C)[C@H](C)/C=C/C(=O)NC/C=C/C(C)=C/[C@@H](O)CC(=O)Cc3nc(co3)C(=O)N1CC[C@H]2S(=O)(=O)CCN(CC)CC
InChIInChI=1S/C53H67N9O10S.C34H50N4O9S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46;1-7-37(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/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65);9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b;10-9+,12-11+,23-18+/t31-,35+,37-,38+,39+,40+,43-,44+,45+;24-,25-,28-,31-,32-/m11/s1
InChIKeyPPKJUHVNTMYXOD-PZGPJMECSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
ChEBI Ontology
Outgoing Relation(s)
quinupristin/dalfopristin (CHEBI:755183) has role antibacterial agent (CHEBI:33282)
quinupristin/dalfopristin (CHEBI:755183) is a cyclodepsipeptide (CHEBI:35213)
Synonym  Source
Quinupristin/dalfopristinChEMBL
Brand Name  Source
SynercidChEMBL
Citations