input word = C00016684

Metabolite InformationStructural formula
Name Chloropeptin II
Complestatin
Sch 79235
WK 3419A
Formula C61H45Cl6N7O15
Mw 1325.11048008
CAS RN 69598-75-0
C_ID C00016684 ,
InChIKey JJGZGELTZPACID-UHFFFAOYNA-N
InChICode InChI=1S/C61H45Cl6N7O15/c1-74-44(56(82)73-49(61(87)88)25-4-7-32(75)8-5-25)12-24-2-9-33(10-3-24)89-45-22-27-13-35(51(45)77)26-6-11-34-31(23-68-42(34)20-26)21-43(69-59(85)50(76)30-18-40(66)54(80)41(67)19-30)55(81)70-47(28-14-36(62)52(78)37(63)15-28)57(83)71-46(27)58(84)72-48(60(74)86)29-16-38(64)53(79)39(65)17-29/h2-11,13-20,22-23,43-44,46-49,68,75,77-80H,12,21H2,1H3,(H,69,85)(H,70,81)(H,71,83)(H,72,84)(H,73,82)(H,87,88)/t43-,44+,46-,47-,48-,49+/m1/s1
SMILES c1([C@H](NC(=O)[C@H]2N(C(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H](Cc4c5ccc(c6cc3cc(Oc3ccc(C2)cc3)c6O)cc5[nH]c4)NC(=O)C(=O)c2cc(Cl)c(c(c2)Cl)O)c2cc(c(c(c2)Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl)C)C(=O)O)ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces lavendulae SANK 60477 Ref.
BacteriaStreptomycetaceaeStreptomyces sp. WK-3419 Ref.
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OrganismStreptomyces lavendulae SANK 60477
ReferenceKaneko,J.Antibiotics,42,(1989),236