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CHEBI:95207 - propanoic acid [(4R,5S,6S,7R,9R,10R,16R)-6-[[4-(dimethylamino)-3-hydroxy-5-[[4-hydroxy-4,6-dimethyl-5-(1-oxopropoxy)-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] ester

ChEBI IDCHEBI:95207
ChEBI Namepropanoic acid [(4R,5S,6S,7R,9R,10R,16R)-6-[[4-(dimethylamino)-3-hydroxy-5-[[4-hydroxy-4,6-dimethyl-5-(1-oxopropoxy)-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] ester
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC41H67NO15
Net Charge0
Average Mass813.979
Monoisotopic Mass813.45107
SMILESCCC(=O)OC1C(C)OC(OC2C(C)OC(O[C@H]3[C@@H](CC=O)C[C@@H](C)[C@@H](O)C=CC=CC[C@@H](C)OC(=O)C[C@@H](OC(=O)CC)[C@@H]3OC)C(O)C2N(C)C)CC1(C)O
InChIInChI=1S/C41H67NO15/c1-11-30(45)54-29-21-32(47)51-24(4)16-14-13-15-17-28(44)23(3)20-27(18-19-43)37(38(29)50-10)57-40-35(48)34(42(8)9)36(25(5)53-40)56-33-22-41(7,49)39(26(6)52-33)55-31(46)12-2/h13-15,17,19,23-29,33-40,44,48-49H,11-12,16,18,20-22H2,1-10H3/t23-,24-,25?,26?,27+,28+,29-,33?,34?,35?,36?,37+,38+,39?,40?,41?/m1/s1
InChIKeyDMUAPQTXSSNEDD-BJXZGPOLSA-N
ChEBI Ontology
Outgoing Relation(s)
propanoic acid [(4R,5S,6S,7R,9R,10R,16R)-6-[[4-(dimethylamino)-3-hydroxy-5-[[4-hydroxy-4,6-dimethyl-5-(1-oxopropoxy)-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] ester (CHEBI:95207) is a aminoglycoside (CHEBI:47779)
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