input word = C00040278

Metabolite InformationStructural formula
Name Septocylindrin A
Formula C94H155N23O25
Mw 2006.15644767
CAS RN 933470-92-9
C_ID C00040278 ,
InChIKey KYDAQHIPEIKSPP-XRUAACPDNA-N
InChICode InChI=1S/C94H155N23O25/c1-49(2)45-60(74(130)111-94(24,25)86(142)116-42-29-33-61(116)75(131)106-67(50(3)4)77(133)114-92(20,21)84(140)115-91(18,19)82(138)105-58(37-40-66(123)124)72(128)104-57(35-38-63(95)120)71(127)101-56(47-97-41-44-118)46-55-31-27-26-28-32-55)102-65(122)48-98-79(135)87(10,11)113-78(134)68(51(5)6)107-83(139)90(16,17)110-73(129)59(36-39-64(96)121)103-69(125)52(7)99-80(136)88(12,13)109-70(126)53(8)100-81(137)89(14,15)112-76(132)62-34-30-43-117(62)85(141)93(22,23)108-54(9)119/h26-28,31-32,49-53,56-62,67-68,97,118H,29-30,33-48H2,1-25H3,(H2,95,120)(H2,96,121)(H,98,135)(H,99,136)(H,100,137)(H,101,127)(H,102,122)(H,103,125)(H,104,128)(H,105,138)(H,106,131)(H,107,139)(H,108,119)(H,109,126)(H,110,129)(H,111,130)(H,112,132)(H,113,134)(H,114,133)(H,115,140)(H,123,124)/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)O)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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