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CHEBI:201781 - Pseudoerythromycin A enol ether

ChEBI IDCHEBI:201781
ChEBI NamePseudoerythromycin A enol ether
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SubmitterMetaboLights
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FormulaC37H65NO12
Net Charge0
Average Mass715.922
Monoisotopic Mass715.45068
SMILESCCC(O)C(C)(O)C1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C2(C)CC(C)=C(O2)C1C
InChIInChI=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
InChIKeyNMIWBQUQCOMGHJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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
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