CHEBI:201781 - Pseudoerythromycin A enol ether

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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 Pseudoerythromycin A enol ether
ChEBI ID CHEBI:201781
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H65NO12
Net Charge 0
Average Mass 715.922
Monoisotopic Mass 715.45068
InChI InChI=1S/C37H65NO12/c1-14-25(39)37(10,43)32-20(4)28-18(2)16-36(9,50-28)31(49-34-27(40)24(38(11)12)15-19(3)45-34)21(5)29(22(6)33(42)48-32)47-26-17-35(8,44-13)30(41)23(7)46-26/h19-27,29-32,34,39-41,43H,14-17H2,1-13H3
InChIKey NMIWBQUQCOMGHJ-UHFFFAOYSA-N
SMILES O=C1OC(C(O)(C(O)CC)C)C(C=2OC(C(C(C(C1C)OC3OC(C(O)C(C3)(OC)C)C)C)OC4OC(CC(C4O)N(C)C)C)(C)CC2C)C
ChEBI Ontology
Outgoing Pseudoerythromycin A enol ether (CHEBI:201781) is a aminoglycoside (CHEBI:47779)
IUPAC Name
(2R,3R,6R,7S,8S,9R,10R)-3-[(2R,3R)-2,3-dihydroxypentan-2-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridec-1(12)-en-5-one
Manual Xref Database
8050752 ChemSpider
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