| Name |
Aureobasidin S1 |
| Formula |
C59H90N8O12S |
| Mw |
1134.63989113 |
| CAS RN |
153954-71-3 |
| C_ID |
C00016875
, 
|
| InChIKey |
LWWLFVPYKYLVRJ-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C59H90N8O12S/c1-16-38(8)48-57(75)65(13)47(37(6)7)52(70)62-43(33-39-24-19-17-20-25-39)54(72)63(11)45(34-40-26-21-18-22-27-40)56(74)67-30-23-28-44(67)50(68)60-41(29-31-80(15)78)53(71)64(12)46(36(4)5)51(69)61-42(32-35(2)3)55(73)66(14)49(58(76)79-48)59(9,10)77/h17-22,24-27,35-38,41-49,77H,16,23,28-34H2,1-15H3,(H,60,68)(H,61,69)(H,62,70)/t38-,41-,42-,43-,44+,45-,46-,47-,48+,49-,80+/m0/s1 |
| SMILES |
C1(=O)N([C@@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N2[C@@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H]1CC(C)C)C(C)C)C)CC[S@](=O)C)CCC2)Cc1ccccc1)C)Cc1ccccc1)C(C)C)C)[C@H](CC)C)C(C)(C)O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp L-Asp IPP |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Fungi | Dothioraceae | Aureobasidium pullulans R106 | Ref. |
|
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