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CHEBI:210484 - Ibomycin

ChEBI IDCHEBI:210484
ChEBI NameIbomycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC91H156N2O40
Net Charge0
Average Mass1918.223
Monoisotopic Mass1917.02344
SMILESCCC(O[C@H]1CC[C@@H](O[C@H]2CC[C@@H](O[C@H]3C[C@](C)(N)[C@H](O)[C@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)C1OC(=O)C=C/C=C/C[C@@H](O)C[C@@H](O)CC[C@@H](C)C(O[C@H]2C[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](CO[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)O2)C2(O)OC(CC(O)C2O)[C@H](C)C(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)C[C@H](O)C[C@@H](O)C[C@H](O)/C=C/C=C/[C@@H]1C
InChIInChI=1S/C91H156N2O40/c1-14-57(123-67-28-26-58(46(8)119-67)124-68-29-27-59(47(9)120-68)125-70-36-90(13,92)84(115)49(11)121-70)43(5)72(104)44(6)73(105)45(7)83-40(2)20-18-19-22-52(98)31-54(100)32-55(101)33-60(127-87-71(93-50(12)96)78(110)76(108)63(37-94)129-87)42(4)61-34-56(102)85(116)91(117,133-61)86(41(3)24-25-53(99)30-51(97)21-16-15-17-23-66(103)131-83)132-69-35-62(128-89-82(114)80(112)77(109)64(38-95)130-89)75(107)65(126-69)39-118-88-81(113)79(111)74(106)48(10)122-88/h15-20,22-23,40-49,51-65,67-89,94-95,97-102,104-117H,14,21,24-39,92H2,1-13H3,(H,93,96)/b16-15+,20-18+,22-19+,23-17?/t40-,41+,42+,43-,44+,45-,46+,47+,48+,49-,51+,52+,53-,54-,55+,56?,57?,58+,59+,60?,61?,62+,63+,64+,65+,67-,68-,69-,70-,71+,72-,73-,74+,75-,76+,77+,78+,79-,80-,81-,82+,83?,84+,85?,86?,87-,88+,89+,90-,91?/m0/s1
InChIKeyPGNAYAZDEXWQEC-SOYODCMSSA-N
ChEBI Ontology
Outgoing Relation(s)
Ibomycin (CHEBI:210484) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
N-[(2S,3R,4R,5S,6R)-2-[[(3R,6S,8R,10E,17S,18E,20E,22S,24R,26R,29S)-16-[(2S,3S,4R,5R,6R)-7-[(2R,5R,6R)-5-[(2S,5R,6R)-5-[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-4,6-dimethylnonan-2-yl]-1,6,8,22,24,26,32,33-octahydroxy-2-[(2S,4R,5S,6R)-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,17,29-trimethyl-14-oxo-15,34-dioxabicyclo[28.3.1]tetratriaconta-10,12,18,20-tetraen-28-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide