input word = C00018152

Metabolite InformationStructural formula
Name Antibiotic BU 2231A
NSC 279496
Talisomycin
Talisomycin A
Tallysomycin A
Formula C68H110N22O27S2
Mw 1730.73521793
CAS RN 65057-90-1
C_ID C00018152 ,
InChIKey VUPBDWQPEOWRQP-UHFFFAOYNA-N
InChICode InChI=1S/C68H110N22O27S2/c1-25-42(87-57(89-55(25)74)31(16-38(72)95)81-18-30(71)56(75)105)59(107)88-44(52(32-19-78-24-82-32)114-67-54(48(101)45(98)36(20-91)113-67)115-66-50(103)53(116-68(76)110)46(99)37(21-92)112-66)61(109)83-26(2)35(94)17-40(97)86-43(27(3)93)60(108)90-62(117-65-49(102)47(100)41(73)28(4)111-65)51(104)64-85-34(23-119-64)63-84-33(22-118-63)58(106)80-13-7-9-29(70)15-39(96)79-14-8-12-77-11-6-5-10-69/h19,22-24,26-31,35-37,41,43-54,62,65-67,77,81,91-94,98-104H,5-18,20-21,69-71,73H2,1-4H3,(H2,72,95)(H2,75,105)(H2,76,110)(H,78,82)(H,79,96)(H,80,106)(H,83,109)(H,86,97)(H,88,107)(H,90,108)(H2,74,87,89)/t26-,27+,28-,29+,30+,31-,35-,36-,37-,41-,43+,44-,45+,46-,47-,48+,49-,50-,51+,52+,53+,54+,62-,65+,66+,67-/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)NCCC[C@@H](CC(=O)NCCCNCCCCN)N)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-Lys
Organism
Kingdom Family Species Reference
--PseudonocardiaceaeStreptoalloteichus hindustanus Ref.
--Actinomycetes No. E465-94 Ref.
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