input word = C00028116

Metabolite InformationStructural formula
Name Cyclolithistide A
Formula C54H86ClN11O15
Mw 1163.59933887
CAS RN 218899-71-9
C_ID C00028116 ,
InChIKey QTANHWBWMWGPNU-RYNYLECJNA-N
InChICode InChI=1S/C54H86ClN11O15/c1-13-28(5)44(58-26-67)51(77)63-46-33(10)81-53(79)43(27(3)4)61-42(73)25-57-49(75)37(22-34-18-16-15-17-19-34)60-52(78)45(32(9)68)62-50(76)36(20-21-40(56)71)59-48(74)35(30(7)31(8)55)23-39(70)47(29(6)14-2)65(11)54(80)66(12)64-41(72)24-38(46)69/h15-19,26-33,35-38,43-47,68-69H,13-14,20-25H2,1-12H3,(H2,56,71)(H,57,75)(H,58,67)(H,59,74)(H,60,78)(H,61,73)(H,62,76)(H,63,77)(H,64,72)/t28-,29+,30+,31+,32+,33-,35+,36+,37+,38+,43+,44-,45+,46+,47+/m1/s1
SMILES CCC(C)[C@H]1C(=O)CC(C(C)C(C)Cl)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)OC(C)C(NC(=O)[C@H](NC=O)C(C)CC)C(O)CC(=O)NN(C)C(=O)N1C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp L-Phe
Organism
Kingdom Family Species Reference
--Theonella swinhoei Ref.
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