CHEBI:63677 - erythromycin D(1+)

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ChEBI Name erythromycin D(1+)
ChEBI ID CHEBI:63677
Definition An erythromycin cation resulting from the protonation of the tertiary amino group of erythromycin D; the major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C36H66NO12
Net Charge +1
Average Mass 704.90870
Monoisotopic Mass 704.45795
InChI InChI=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
InChIKey CLQUUOKNEOQBSW-KEGKUKQHSA-O
SMILES CC[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]([C@H]2O)[NH+](C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C
ChEBI Ontology
Outgoing 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 erythromycin D (CHEBI:28331) is conjugate base of erythromycin D(1+) (CHEBI:63677)
Synonyms Sources
erythromycin D UniProt
erythromycin D(+1) ChEBI
Last Modified
23 March 2012