input word = C00040279

Metabolite InformationStructural formula
Name Septocylindrin B
Formula C94H156N24O24
Mw 2005.17243209
CAS RN 933470-93-0
C_ID C00040279 ,
InChIKey CRWYZHLCSZFGGI-BQEDCYCINA-N
InChICode InChI=1S/C94H156N24O24/c1-49(2)45-60(74(130)112-94(24,25)86(142)117-42-29-33-61(117)75(131)107-67(50(3)4)77(133)115-92(20,21)84(140)116-91(18,19)82(138)106-58(36-39-64(96)122)72(128)105-57(35-38-63(95)121)71(127)102-56(47-98-41-44-119)46-55-31-27-26-28-32-55)103-66(124)48-99-79(135)87(10,11)114-78(134)68(51(5)6)108-83(139)90(16,17)111-73(129)59(37-40-65(97)123)104-69(125)52(7)100-80(136)88(12,13)110-70(126)53(8)101-81(137)89(14,15)113-76(132)62-34-30-43-118(62)85(141)93(22,23)109-54(9)120/h26-28,31-32,49-53,56-62,67-68,98,119H,29-30,33-48H2,1-25H3,(H2,95,121)(H2,96,122)(H2,97,123)(H,99,135)(H,100,136)(H,101,137)(H,102,127)(H,103,124)(H,104,125)(H,105,128)(H,106,138)(H,107,131)(H,108,139)(H,109,120)(H,110,126)(H,111,129)(H,112,130)(H,113,132)(H,114,134)(H,115,133)(H,116,140)/t52-,53-,56-,57-,58-,59-,60-,61-,62-,67-,68-/m0/s1
SMILES C1CC[C@H](N1C(=O)C(NC(=O)C)(C)C)C(=O)NC(C(=O)N[C@@H](C)C(=O)NC(C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C(=O)N[C@@H](C(C)C)C(=O)NC(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NC(C(=O)N1[C@@H](CCC1)C(=O)N[C@H](C(=O)NC(C(=O)NC(C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)CNCCO)CCC(=O)N)(C)C)(C)C)C(C)C)(C)C)(C)C)(C)C)(C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
--Septocylindrium sp. Ref.
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