input word = C00018153

Metabolite InformationStructural formula
Name Antibiotic BU 2231B
Talisomycin B
Tallysomycin B
Formula C62H98N20O26S2
Mw 1602.64025491
CAS RN 65057-91-2
C_ID C00018153 ,
InChIKey JBMBADLYKKSXRS-UHFFFAOYNA-N
InChICode InChI=1S/C62H98N20O26S2/c1-21-36(79-51(81-49(21)67)26(12-33(65)87)73-14-25(64)50(68)96)53(98)80-38(46(27-15-71-20-74-27)105-61-48(42(92)39(89)31(16-83)104-61)106-60-44(94)47(107-62(69)101)40(90)32(17-84)103-60)55(100)75-22(2)30(86)13-34(88)78-37(23(3)85)54(99)82-56(108-59-43(93)41(91)35(66)24(4)102-59)45(95)58-77-29(19-110-58)57-76-28(18-109-57)52(97)72-11-7-10-70-9-6-5-8-63/h15,18-20,22-26,30-32,35,37-48,56,59-61,70,73,83-86,89-95H,5-14,16-17,63-64,66H2,1-4H3,(H2,65,87)(H2,68,96)(H2,69,101)(H,71,74)(H,72,97)(H,75,100)(H,78,88)(H,80,98)(H,82,99)(H2,67,79,81)/t22-,23-,24-,25+,26-,30-,31+,32-,35-,37+,38+,39+,40-,41-,42-,43-,44+,45-,46-,47+,48-,56+,59-,60+,61+/m1/s1
SMILES [C@@H]1(O[C@@H]([C@@H]([C@@H]([C@@H]1N)O)O)O[C@@H]([C@@H](O)c1scc(n1)c1scc(n1)C(=O)NCCCNCCCCN)NC(=O)[C@@H](NC(=O)C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)c1nc(nc(c1C)N)[C@@H](CC(=O)N)NC[C@H](N)C(=O)N)[C@@H](c1[nH]cnc1)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)OC(=O)N)O)CO)C)[C@H](O)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Lys
Organism
Kingdom Family Species Reference
--PseudonocardiaceaeStreptoalloteichus hindustanus Ref.
--Actinomycetes No. E465-94 Ref.
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