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CHEBI:202185 - MJ347-81F4-B

ChEBI IDCHEBI:202185
ChEBI NameMJ347-81F4-B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC60H58N14O18S5
Net Charge0
Average Mass1423.539
Monoisotopic Mass1422.26571
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(NC)C(C)O4)C2OC5)c2nc-3cs2)n1)C(N)=O
InChIInChI=1S/C60H58N14O18S5/c1-21(47(61)77)63-48(78)30-18-96-56(68-30)41-35(76)11-26-40(70-41)29-16-94-54(65-29)28-15-90-58(83)43-27-14-88-44(45(92-36-12-60(5,85)46(62-6)24(4)91-36)59(84)89-13-25-9-8-10-34(37(25)27)74(43)86)42(57-69-31(19-97-57)49(79)64-28)73-51(81)33-20-95-55(67-33)39(23(3)87-7)72-52(82)38(22(2)75)71-50(80)32-17-93-53(26)66-32/h8-11,16-20,22,24,28,36,38,42,44-46,62,75-76,85-86H,1,12-15H2,2-7H3,(H2,61,77)(H,63,78)(H,64,79)(H,71,80)(H,72,82)(H,73,81)/b39-23+
InChIKeyRQEPNTVQILZFPS-JRZNSJKLSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis (ncbitaxon:1813) - PubMed (9766463)
ChEBI Ontology
Outgoing Relation(s)
MJ347-81F4-B (CHEBI:202185) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
N-(3-amino-3-oxoprop-1-en-2-yl)-2-[(21E)-9,52-dihydroxy-30-[4-hydroxy-4,6-dimethyl-5-(methylamino)oxan-2-yl]oxy-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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