input word = C00046091

Metabolite InformationStructural formula
Name Longibrachin LGA IV
Formula C92H153N23O24
Mw 1964.14588299
CAS RN 177770-63-7
C_ID C00046091 ,
InChIKey IZAHAERNXKHNJZ-UHFFFAOYNA-N
InChICode InChI=1S/C92H152N22O24/c1-28-92(27,59(117)44-54(36-39-60(93)118)69(124)100-56(37-40-61(94)119)70(125)99-55(46-115)43-53-33-30-29-31-34-53)113-82(137)90(23,24)110-74(129)65(48(4)5)103-72(127)58-35-32-42-114(58)83(138)91(25,26)111-73(128)64(47(2)3)102-63(121)45-96-76(131)84(11,12)109-75(130)66(49(6)7)104-80(135)87(17,18)108-71(126)57(38-41-62(95)120)101-79(134)88(19,20)112-81(136)89(21,22)107-68(123)51(9)98-78(133)86(15,16)106-67(122)50(8)97-77(132)85(13,14)105-52(10)116/h29-31,33-34,47-51,54-58,64-66,115H,28,32,35-46H2,1-27H3,(H2,93,118)(H2,94,119)(H2,95,120)(H,96,131)(H,97,132)(H,98,133)(H,99,125)(H,100,124)(H,101,134)(H,102,121)(H,103,127)(H,104,135)(H,105,116)(H,106,122)(H,107,123)(H,108,126)(H,109,130)(H,110,129)(H,111,128)(H,112,136)(H,113,137)/t50-,51+,54-,55-,56+,57+,58-,64-,65-,66+,92-/m0/s1
SMILES C(=O)(C(C)(NC(=O)[C@@H](NC(=O)CNC(=O)C(C)(NC(=O)[C@@H](C(C)C)NC(=O)C(C)(NC(=O)[C@@H](CCC(=O)N)NC(=O)C(C)(NC(=O)C(C)(NC(=O)[C@@H](C)NC(=O)C(NC(=O)[C@@H](NC(=O)C(NC(=O)C)(C)C)C)(C)C)C)C)C)C)C(C)C)C)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@@](C)(CC)C(=O)C[C@@H](C(=O)N[C@@H](C(=O)N[C@H](CO)Cc1ccccc1)CCC(=O)N)CCC(=O)N
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
FungiHypocreaceaeTrichoderma longibrachiatum Ref.
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