input word = C00017098

Metabolite InformationStructural formula
Name Cyclothiazomycin
Formula C59H64N18O14S7
Mw 1472.289434
CAS RN 133352-26-8
C_ID C00017098 ,
InChIKey OGUUCNCVZHZWGA-ZWKBSJDJNA-N
InChICode InChI=1S/C59H64N18O14S7/c1-7-27-47(85)76-59(6)58(91)75-42(25(5)78)49(87)61-15-40(80)64-28(8-2)56(88)77-13-9-10-38(77)48(86)62-23(3)41-26(43(81)67-30(14-39(60)79)52-69-32(17-93-52)45(83)66-27)11-12-29(65-41)51-73-35(20-96-51)53-70-31(16-94-53)44(82)63-24(4)50-72-34(19-92-50)55-74-36(21-97-55)54-71-33(18-95-54)46(84)68-37(22-98-59)57(89)90/h7-8,11-12,19-21,23,25,30-33,37-38,42,78H,4,9-10,13-18,22H2,1-3,5-6H3,(H2,60,79)(H,61,87)(H,62,86)(H,63,82)(H,64,80)(H,66,83)(H,67,81)(H,68,84)(H,75,91)(H,76,85)(H,89,90)/b27-7+,28-8+/t23-,25-,30+,31+,32+,33+,37+,38+,42+,59+/m1/s1
SMILES c12ccc3nc1[C@H](NC(=O)[C@H]1N(C(=O)/C(=C\C)/NC(=O)CNC(=O)[C@@H](NC(=O)[C@@](NC(=O)/C(=C\C)/NC(=O)[C@H]4N=C([C@@H](NC2=O)CC(=O)N)SC4)(SC[C@H](NC(=O)[C@H]2N=C(c4nc(c5nc(C(=C)NC(=O)[C@H]6N=C(c7nc3sc7)SC6)sc5)sc4)SC2)C(=O)O)C)[C@H](O)C)CCC1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. NR0516 Ref.
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