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CHEBI:201815 - Monensin sodium salt

ChEBI IDCHEBI:201815
ChEBI NameMonensin sodium salt
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FormulaC36H61O11.Na
Net Charge0
Average Mass692.863
Monoisotopic Mass692.41116
SMILESCCC1(C2OC(C3OC(O)(CO)C(C)CC3C)CC2C)CCC(C2(C)CCC3(CC(O)C(C)C(C(C)C(OC)C(C)C(=O)[O-])O3)O2)O1.[Na+]
InChIInChI=1S/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1
InChIKeyXOIQMTLWECTKJL-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
Monensin sodium salt (CHEBI:201815) is a ketal (CHEBI:59777)
IUPAC Name 
sodium;(2S,3R,4S)-4-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoate
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