input word = C00015385

Metabolite InformationStructural formula
Name Bergofungin D
Formula C69H113N15O18
Mw 1439.83880192
CAS RN 245670-53-5
C_ID C00015385 ,
InChIKey TWECEMYZYGHZNE-NDVCXEIJNA-N
InChICode InChI=1S/C69H113N15O18/c1-20-69(19,63(102)84-34-43(88)31-47(84)55(94)78-64(9,10)58(97)73-41(35-85)29-40-24-22-21-23-25-40)80-52(91)44(26-27-48(70)89)75-54(93)46-30-42(87)33-83(46)62(101)68(17,18)82-61(100)66(13,14)77-53(92)45(28-36(2)3)74-49(90)32-71-56(95)50(37(4)5)76-59(98)65(11,12)81-60(99)67(15,16)79-57(96)51(38(6)7)72-39(8)86/h21-25,36-38,41-47,50-51,85,87-88H,20,26-35H2,1-19H3,(H2,70,89)(H,71,95)(H,72,86)(H,73,97)(H,74,90)(H,75,93)(H,76,98)(H,77,92)(H,78,94)(H,79,96)(H,80,91)(H,81,99)(H,82,100)/t41-,42+,43+,44-,45-,46-,47-,50-,51+,69-/m0/s1
SMILES C(=O)(C(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@](NC(=O)[C@@H](NC(=O)[C@H]1N(C[C@@H](C1)O)C(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@@H](C(C)C)NC(=O)C)C(C)C)CCC(=O)N)(CC)C)O)(C)C)N[C@@H](Cc1ccccc1)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
FungiIncertae sedisEmericellopsis donezkii HKI 0059 Ref.
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