input word = C00018133

Metabolite InformationStructural formula
Name Polymyxin T1
Formula C58H102N16O12
Mw 1214.78631284
CAS RN 63700-39-0
C_ID C00018133 ,
InChIKey IQLZHIIINCHIKY-UHFFFAOYNA-N
InChICode InChI=1S/C58H102N16O12/c1-8-35(6)14-12-13-17-47(76)65-38(18-24-59)55(83)74-48(36(7)75)58(86)70-42(22-28-63)51(79)69-43-23-29-64-49(77)44(30-33(2)3)71-52(80)40(20-26-61)66-50(78)39(19-25-60)68-56(84)45(31-34(4)5)72-57(85)46(32-37-15-10-9-11-16-37)73-53(81)41(21-27-62)67-54(43)82/h9-11,15-16,33-36,38-46,48,75H,8,12-14,17-32,59-63H2,1-7H3,(H,64,77)(H,65,76)(H,66,78)(H,67,82)(H,68,84)(H,69,79)(H,70,86)(H,71,80)(H,72,85)(H,73,81)(H,74,83)/t35-,36-,38+,39+,40-,41+,42+,43-,44+,45-,46-,48+/m0/s1
SMILES [C@H]1(C(=O)NCC[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCN)CCN)CC(C)C)Cc1ccccc1)CCN)NC(=O)[C@@H](CCN)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@@H](CCN)NC(=O)CCCC[C@H](CC)C)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Asp
Organism
Kingdom Family Species Reference
BacteriaBacillaceaeBacillus polymyxa E-12 Ref.
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