input word = C00017147

Metabolite InformationStructural formula
Name Aureobasidin N
Antibiotic R 106XII
Formula C60H90N8O10
Mw 1082.67799115
CAS RN 127785-74-4
C_ID C00017147 ,
InChIKey GDAPDECASVYHJX-UHFFFAOYNA-N
InChICode InChI=1S/C60H90N8O10/c1-17-39(11)47-58(75)65(14)48(36(5)6)53(70)61-43(32-35(3)4)56(73)67(16)50(38(9)10)60(77)78-51(40(12)18-2)59(76)66(15)49(37(7)8)54(71)62-44(33-41-26-21-19-22-27-41)55(72)64(13)46(34-42-28-23-20-24-29-42)57(74)68-31-25-30-45(68)52(69)63-47/h19-24,26-29,35-37,39-40,43-51H,9,17-18,25,30-34H2,1-8,10-16H3,(H,61,70)(H,62,71)(H,63,69)/t39-,40-,43+,44-,45-,46-,47+,48+,49-,50+,51+/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](CC)C)C)C(C)C)Cc1ccccc1)C)Cc1ccccc1)CCC2)[C@H](CC)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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