input word = C00046093

Metabolite InformationStructural formula
Name Longibrachin LGB III
Formula C91H150N22O25
Mw 1951.11424851
CAS RN 161726-98-3
C_ID C00046093 ,
InChIKey OIABSFKIOCSYOZ-UHFFFAOYNA-N
InChICode InChI=1S/C91H150N22O25/c1-27-91(26,82(137)102-56(37-40-63(119)120)70(125)101-55(35-38-60(92)116)69(124)98-54(45-114)43-53-32-29-28-30-33-53)112-81(136)89(22,23)111-74(129)64(47(4)5)103-73(128)59-34-31-41-113(59)83(138)90(24,25)109-72(127)58(42-46(2)3)99-62(118)44-94-76(131)84(12,13)110-75(130)65(48(6)7)104-80(135)88(20,21)108-71(126)57(36-39-61(93)117)100-66(121)49(8)95-78(133)86(16,17)106-68(123)51(10)97-79(134)87(18,19)107-67(122)50(9)96-77(132)85(14,15)105-52(11)115/h28-30,32-33,46-51,54-59,64-65,114H,27,31,34-45H2,1-26H3,(H2,92,116)(H2,93,117)(H,94,131)(H,95,133)(H,96,132)(H,97,134)(H,98,124)(H,99,118)(H,100,121)(H,101,125)(H,102,137)(H,103,128)(H,104,135)(H,105,115)(H,106,123)(H,107,122)(H,108,126)(H,109,127)(H,110,130)(H,111,129)(H,112,136)(H,119,120)/t49-,50+,51-,54-,55+,56+,57-,58+,59+,64-,65-,91-/m0/s1
SMILES CC(C)(NC(=O)C)C(=O)N[C@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C)(C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)N[C@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@@](C)(CC)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](CO)Cc1ccccc1)CCC(=O)N)CCC(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
FungiHypocreaceaeTrichoderma longibrachiatum Ref.
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