input word = C00016019

Metabolite InformationStructural formula
Name Trichorzin PAU 4
Formula C85H139N21O22
Mw 1806.04035528
CAS RN 204577-62-8
C_ID C00016019 ,
InChIKey LVNJXOBAICWLEU-JKMHCGOLNA-N
InChICode InChI=1S/C85H139N21O22/c1-43(2)36-54(66(117)102-85(23,24)77(128)106-35-27-30-57(106)68(119)93-55(37-44(3)4)67(118)101-84(21,22)76(127)105-81(15,16)72(123)94-52(31-33-58(86)110)63(114)91-49(41-107)38-48-39-88-51-29-26-25-28-50(48)51)92-60(112)40-89-70(121)78(9,10)103-69(120)61(45(5)6)97-74(125)80(13,14)100-65(116)53(32-34-59(87)111)95-73(124)82(17,18)104-75(126)83(19,20)99-62(113)46(7)90-64(115)56(42-108)96-71(122)79(11,12)98-47(8)109/h25-26,28-29,39,43-46,49,52-57,61,88,107-108H,27,30-38,40-42H2,1-24H3,(H2,86,110)(H2,87,111)(H,89,121)(H,90,115)(H,91,114)(H,92,112)(H,93,119)(H,94,123)(H,95,124)(H,96,122)(H,97,125)(H,98,109)(H,99,113)(H,100,116)(H,101,118)(H,102,117)(H,103,120)(H,104,126)(H,105,127)/t46-,49-,52-,53-,54-,55-,56-,57-,61-/m0/s1
SMILES C(C)(C)(NC(=O)[C@H](CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)C(C)(C)NC(=O)C)C)(C)C)C(=O)N[C@H](C(=O)NC(C(=O)NCC(=O)N[C@H](C(=O)NC(C(=O)N1[C@H](C(=O)N[C@H](C(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)N[C@@H](Cc2c3c(cccc3)[nH]c2)CO)CCC(=O)N)(C)C)(C)C)CC(C)C)CCC1)(C)C)CC(C)C)(C)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
FungiHypocreaceaeTrichoderma harzianum Ref.
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