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CHEBI:213260 - MJ347-81F4-A

ChEBI IDCHEBI:213260
ChEBI NameMJ347-81F4-A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC61H60N14O18S5
Net Charge0
Average Mass1437.566
Monoisotopic Mass1436.28136
SMILESC=C(NC(=O)c1csc(-c2nc3c(cc2O)-c2nc(cs2)C(=O)NC(C(C)O)C(=O)N/C(=C(\C)OC)c2nc(cs2)C(=O)NC2c4nc(cs4)C(=O)NC(COC(=O)c4c5c6c(cccc6n4O)COC(=O)C(OC4CC(C)(O)C(N(C)C)C(C)O4)C2OC5)c2nc-3cs2)n1)C(N)=O
InChIInChI=1S/C61H60N14O18S5/c1-22(48(62)78)63-49(79)31-19-97-57(68-31)42-36(77)12-27-41(70-42)30-17-95-55(65-30)29-16-91-59(84)44-28-15-89-45(46(93-37-13-61(5,86)47(74(6)7)25(4)92-37)60(85)90-14-26-10-9-11-35(38(26)28)75(44)87)43(58-69-32(20-98-58)50(80)64-29)73-52(82)34-21-96-56(67-34)40(24(3)88-8)72-53(83)39(23(2)76)71-51(81)33-18-94-54(27)66-33/h9-12,17-21,23,25,29,37,39,43,45-47,76-77,86-87H,1,13-16H2,2-8H3,(H2,62,78)(H,63,79)(H,64,80)(H,71,81)(H,72,83)(H,73,82)/b40-24+
InChIKeyFFLJEMWVYVKPDW-BKATUZMVSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis (ncbitaxon:1813) - PubMed (9766463)
ChEBI Ontology
Outgoing Relation(s)
MJ347-81F4-A (CHEBI:213260) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
N-(3-amino-3-oxoprop-1-en-2-yl)-2-[(21E)-30-[5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-9,52-dihydroxy-18-(1-hydroxyethyl)-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decazadecacyclo[26.16.6.229,40.12,5.112,15.122,25.138,41.147,50.06,11.034,39]heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-1,3-thiazole-4-carboxamide
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