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CHEBI:208053 - Thiazomycin C

ChEBI IDCHEBI:208053
ChEBI NameThiazomycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H57N13O16S5
Net Charge0
Average Mass1352.504
Monoisotopic Mass1351.26498
SMILESCOC(C)=C1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(N)=O)cs3)nc2-c2csc(n2)[C@@H]2COC(=O)c3nc4cccc5c4c3CO[C@H]([C@H](O[C@H]3C[C@](C)(O)[C@H](N(C)C)[C@H](C)O3)C(=O)OC5)[C@H](NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2
InChIInChI=1S/C58H57N13O16S5/c1-21(72)37-50(78)69-38(22(2)82-7)53-65-33(20-91-53)49(77)70-42-43-44(87-35-12-58(4,81)45(71(5)6)23(3)86-35)57(80)84-13-24-9-8-10-27-36(24)26(14-83-43)40(60-27)56(79)85-15-28(61-47(75)31-19-92-55(42)66-31)52-62-29(16-89-52)39-25(51-64-32(18-88-51)48(76)68-37)11-34(73)41(67-39)54-63-30(17-90-54)46(59)74/h8-11,16-21,23,28,35,37,42-45,60,72-73,81H,12-15H2,1-7H3,(H2,59,74)(H,61,75)(H,68,76)(H,69,78)(H,70,77)/t21-,23+,28+,35+,37+,42+,43+,44+,45-,58+/m1/s1
InChIKeyHRIFYBRRXQXAKA-TVFHQIITSA-N
Species of MetaboliteComponentSourceComments
Actinokineospora fastidiosa (ncbitaxon:1816) - PubMed (19334707)
ChEBI Ontology
Outgoing Relation(s)
Thiazomycin C (CHEBI:208053) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
2-[(1S,18S,28S,29S,30S)-30-[(2S,4S,5R,6S)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-9-hydroxy-18-[(1R)-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
Manual XrefsDatabases
78440233ChemSpider