input word = C00046089

Metabolite InformationStructural formula
Name Longibrachin LGA II
Formula C91H151N23O24
Mw 1950.13023292
CAS RN 136991-14-5
C_ID C00046089 ,
InChIKey DSYPJJKVKMKZTF-UHFFFAOYNA-N
InChICode InChI=1S/C91H151N23O24/c1-27-91(26,82(137)103-56(36-39-61(93)118)70(125)102-55(35-38-60(92)117)69(124)99-54(45-115)43-53-32-29-28-30-33-53)113-81(136)89(22,23)112-74(129)64(47(4)5)104-73(128)59-34-31-41-114(59)83(138)90(24,25)110-72(127)58(42-46(2)3)100-63(120)44-95-76(131)84(12,13)111-75(130)65(48(6)7)105-80(135)88(20,21)109-71(126)57(37-40-62(94)119)101-66(121)49(8)96-78(133)86(16,17)107-68(123)51(10)98-79(134)87(18,19)108-67(122)50(9)97-77(132)85(14,15)106-52(11)116/h28-30,32-33,46-51,54-59,64-65,115H,27,31,34-45H2,1-26H3,(H2,92,117)(H2,93,118)(H2,94,119)(H,95,131)(H,96,133)(H,97,132)(H,98,134)(H,99,124)(H,100,120)(H,101,121)(H,102,125)(H,103,137)(H,104,128)(H,105,135)(H,106,116)(H,107,123)(H,108,122)(H,109,126)(H,110,127)(H,111,130)(H,112,129)(H,113,136)/t49-,50-,51-,54+,55+,56+,57+,58-,59-,64-,65-,91+/m1/s1
SMILES CC(NC(=O)C)(C)C(=O)N[C@H](C)C(=O)NC(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(=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(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](C(=O)N[C@H](CO)Cc1ccccc1)CCC(=O)N)(CC)C)C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
FungiHypocreaceaeTrichoderma longibrachiatum Ref.
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