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CHEBI:63677 - erythromycin D(1+)

ChEBI IDCHEBI:63677
ChEBI Nameerythromycin D(1+)
Stars
DefinitionAn erythromycin cation resulting from the protonation of the tertiary amino group of erythromycin D; the major species at pH 7.3.
Last Modified23 March 2012
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC36H66NO12
Net Charge+1
Average Mass704.919
Monoisotopic Mass704.45795
SMILESCC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[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(=O)[C@H](C)[C@@H](O)[C@H]1C
InChIInChI=1S/C36H65NO12/c1-13-25-19(4)28(39)20(5)27(38)17(2)15-36(10,44)32(49-34-29(40)24(37(11)12)14-18(3)45-34)21(6)30(22(7)33(42)47-25)48-26-16-35(9,43)31(41)23(8)46-26/h17-26,28-32,34,39-41,43-44H,13-16H2,1-12H3/p+1/t17-,18-,19+,20+,21+,22-,23+,24+,25-,26+,28+,29-,30+,31+,32-,34+,35-,36-/m1/s1
InChIKeyCLQUUOKNEOQBSW-KEGKUKQHSA-O
ChEBI Ontology
Outgoing Relation(s)
erythromycin D(1+) (CHEBI:63677) is a erythromycin cation (CHEBI:64290)
erythromycin D(1+) (CHEBI:63677) is conjugate acid of erythromycin D (CHEBI:28331)
Incoming Relation(s)
erythromycin D (CHEBI:28331) is conjugate base of erythromycin D(1+) (CHEBI:63677)
Synonym  Source
erythromycin D(+1)ChEBI
UniProt Name  Source
erythromycin DUniProt