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CHEBI:231550 - azithromycin(2+)

ChEBI IDCHEBI:231550
ChEBI Nameazithromycin(2+)
Stars
DefinitionA tertiary ammonium ion resulting from the protonation of the two amino groups of azithromycin; major species at pH 7.3.
Last Modified11 June 2024
SubmitterR. Stephan
DownloadsMolfile
FormulaC38H74N2O12
Net Charge+2
Average Mass751.012
Monoisotopic Mass750.52308
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[NH+](C)[C@H](C)[C@@H](O)[C@]1(C)O
InChIInChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/p+2/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
InChIKeyMQTOSJVFKKJCRP-BICOPXKESA-P
ChEBI Ontology
Outgoing Relation(s)
azithromycin(2+) (CHEBI:231550) is a tertiary ammonium ion (CHEBI:137982)
azithromycin(2+) (CHEBI:231550) is conjugate acid of azithromycin (CHEBI:2955)
Incoming Relation(s)
azithromycin (CHEBI:2955) is conjugate base of azithromycin(2+) (CHEBI:231550)
IUPAC Name 
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylazaniumyl)-β-D-xylo-hexopyranosyl]oxy}-1-oxa-6-azoniacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranoside
Synonym  Source
azithromycin dicationChEBI