input word = C00017145

Metabolite InformationStructural formula
Name Aureobasidin L
Antibiotic R 106Xb
Formula C59H90N8O10
Mw 1070.67799115
CAS RN 127757-33-9
C_ID C00017145 ,
InChIKey NVLSADONUFBQAB-MDOXTDIRNA-N
InChICode InChI=1S/C59H90N8O10/c1-17-39(12)50-58(75)65(15)48(37(8)9)53(70)61-43(32-40-25-20-18-21-26-40)54(71)63(13)45(33-41-27-22-19-23-28-41)56(73)67-30-24-29-44(67)51(68)62-46(35(4)5)57(74)64(14)47(36(6)7)52(69)60-42(31-34(2)3)55(72)66(16)49(38(10)11)59(76)77-50/h18-23,25-28,34-39,42-50H,17,24,29-33H2,1-16H3,(H,60,69)(H,61,70)(H,62,68)/t39-,42-,43-,44-,45-,46+,47-,48+,49-,50+/m0/s1
SMILES N1C(=O)[C@@H](N(C(=O)[C@H](NC(=O)[C@H]2N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@H](N(C(=O)[C@H](OC(=O)[C@@H](N(C(=O)[C@@H]1CC(C)C)C)C(C)C)[C@@H](C)CC)C)C(C)C)Cc1ccccc1)C)Cc1ccccc1)CCC2)C(C)C)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
FungiDothioraceaeAureobasidium pullulans R106 Ref.
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