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CHEBI:201765 - N-Demethylerythromycin A

ChEBI IDCHEBI:201765
ChEBI NameN-Demethylerythromycin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H65NO13
Net Charge0
Average Mass719.910
Monoisotopic Mass719.44559
SMILESCCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(NC)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O
InChIInChI=1S/C36H65NO13/c1-13-24-36(10,44)29(40)19(4)26(38)17(2)15-34(8,43)31(50-33-27(39)23(37-11)14-18(3)46-33)20(5)28(21(6)32(42)48-24)49-25-16-35(9,45-12)30(41)22(7)47-25/h17-25,27-31,33,37,39-41,43-44H,13-16H2,1-12H3
InChIKeyTXOOBKBDBNRQCF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-Demethylerythromycin A (CHEBI:201765) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
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8185671ChemSpider