CHEBI:201667 - N-Desmethyl Clarithromycin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name N-Desmethyl Clarithromycin
ChEBI ID CHEBI:201667
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H67NO13
Net Charge 0
Average Mass 733.937
Monoisotopic Mass 733.46124
InChI InChI=1S/C37H67NO13/c1-14-25-37(10,44)30(41)20(4)27(39)18(2)16-36(9,46-13)32(51-34-28(40)24(38-11)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-35(8,45-12)31(42)23(7)48-26/h18-26,28-32,34,38,40-42,44H,14-17H2,1-13H3
InChIKey CIJTVUQEURKBDL-UHFFFAOYSA-N
SMILES O=C1OC(C(O)(C(O)C(C(=O)C(C)CC(C(C(C(C1C)OC2OC(C(O)C(C2)(OC)C)C)C)OC3OC(CC(C3O)NC)C)(OC)C)C)C)CC
ChEBI Ontology
Outgoing N-Desmethyl Clarithromycin (CHEBI:201667) is a aminoglycoside (CHEBI:47779)
IUPAC Name
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-12,13-dihydroxy-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-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Manual Xref Database
9247786 ChemSpider
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