input word = C00048370

Metabolite InformationStructural formula
Name Cyclomarin B
(-)-Cyclomarin B
Formula C56H82N8O10
Mw 1026.6153909
CAS RN 255705-66-9
C_ID C00048370 ,
InChIKey HSTKEHHVGUSTOW-ZRZALHSGNA-N
InChICode InChI=1S/C56H82N8O10/c1-30(2)25-34(9)44-52(69)60-45(47(65)38-28-64(56(11,12)42-29-74-42)39-24-20-19-23-37(38)39)55(72)63(14)40(26-31(3)4)50(67)57-35(10)49(66)61-46(48(73-15)36-21-17-16-18-22-36)53(70)58-43(33(7)8)54(71)62(13)41(27-32(5)6)51(68)59-44/h16-25,28,31-35,40-48,65H,26-27,29H2,1-15H3,(H,57,67)(H,58,70)(H,59,68)(H,60,69)(H,61,66)/t34-,35+,40+,41+,42+,43+,44+,45+,46-,47-,48-/m1/s1
SMILES [C@@H]1(NC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC1=O)C(C)C)C)CC(C)C)[C@@H](C=C(C)C)C)[C@@H](c1c2c(n(c1)C(C)([C@@H]1CO1)C)cccc2)O)C)CC(C)C)C)[C@H](OC)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. CNB-982 Ref.
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