input word = C00048371

Metabolite InformationStructural formula
Name Cyclomarin C
(-)-Cyclomarin C
Formula C56H82N8O10
Mw 1026.6153909
CAS RN 255705-67-0
C_ID C00048371 ,
InChIKey NCUTXLGVUNPWKM-DUHJXIPXNA-N
InChICode InChI=1S/C56H82N8O10/c1-16-56(11,12)64-29-39(38-24-20-21-25-40(38)64)47(66)45-55(73)63(14)42(28-34(8)30-65)50(68)57-36(10)49(67)61-46(48(74-15)37-22-18-17-19-23-37)53(71)58-43(33(6)7)54(72)62(13)41(27-32(4)5)51(69)59-44(52(70)60-45)35(9)26-31(2)3/h16-26,29,32-36,41-48,65-66H,1,27-28,30H2,2-15H3,(H,57,68)(H,58,71)(H,59,69)(H,60,70)(H,61,67)/t34-,35+,36-,41-,42-,43-,44-,45-,46+,47+,48+/m0/s1
SMILES C=CC(C)(C)n1cc([C@@H](O)[C@@H]2NC(=O)[C@H]([C@H](C)C=C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)C([C@H](OC)c3ccccc3)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)CO)N(C)C2=O)c2ccccc21
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. CNB-982 Ref.
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