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CHEBI:212584 - Nocathiacin II

ChEBI IDCHEBI:212584
ChEBI NameNocathiacin II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H54N14O18S5
Net Charge0
Average Mass1395.485
Monoisotopic Mass1394.23441
SMILESCO/C(C)=C1/NC(=O)[C@H]([C@@H](C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(=O)NC(=O)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@H](C)O3)C(=O)OC5)[C@H](NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2
InChIInChI=1S/C58H54N14O18S5/c1-19(73)35-49(80)70-36(20(2)85-5)53-65-30(17-93-53)47(78)71-40-41-42(90-33-10-58(4,84)43(59)21(3)89-33)57(83)87-11-22-7-6-8-25-34(22)24(12-86-41)38(61-25)56(82)88-13-26(62-45(76)28-16-95-55(40)67-28)52-63-27(14-92-52)37-23(51-64-29(15-91-51)46(77)69-35)9-32(74)39(68-37)54-66-31(18-94-54)48(79)72-50(81)44(60)75/h6-9,14-19,21,26,33,35,40-43,61,73-74,84H,10-13,59H2,1-5H3,(H2,60,75)(H,62,76)(H,69,77)(H,70,80)(H,71,78)(H,72,79,81)/b36-20+/t19-,21+,26+,33+,35+,40+,41+,42+,43-,58+/m1/s1
InChIKeyJLVQHFRHPZEAPL-HVLKWGBISA-N
Species of MetaboliteComponentSourceComments
Nocardia (ncbitaxon:1817) - PubMed (12760678)
ChEBI Ontology
Outgoing Relation(s)
Nocathiacin II (CHEBI:212584) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
N'-[2-[(1S,18S,21E,28S,29S,30S)-30-[(2S,4S,5R,6S)-5-amino-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-carbonyl]oxamide
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