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CHEBI:747780 - roxithromycin(1+)

Default Structure
ChEBI IDCHEBI:747780
ChEBI Nameroxithromycin(1+)
Stars
Last Modified19 May 2026
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC41H77N2O15
Net Charge+1
Average Mass838.066
Monoisotopic Mass837.53185
SMILESCC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O
InChIInChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/p+1/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1
InChIKeyRXZBMPWDPOLZGW-HITVVWEBSA-O
ChEBI Ontology
Outgoing Relation(s)
roxithromycin(1+) (CHEBI:747780) is a ammonium ion derivative (CHEBI:35274)
roxithromycin(1+) (CHEBI:747780) is conjugate acid of roxithromycin (CHEBI:48844)
Incoming Relation(s)
roxithromycin 2'-O-phosphate(1-) (CHEBI:747781) has functional parent roxithromycin(1+) (CHEBI:747780)
UniProt Name  Source
roxithromycinUniProt
Citations