input word = C00017138

Metabolite InformationStructural formula
Name Aureobasidin E
Antibiotic R 106-IV
R 106-4
Formula C60H92N8O12
Mw 1116.68347046
CAS RN 127785-66-4
C_ID C00017138 ,
InChIKey CCOLHNQBJDUNIC-DICWKARJNA-N
InChICode InChI=1S/C60H92N8O12/c1-17-37(9)44-56(75)64(13)45(35(5)6)52(71)61-41(32-34(3)4)55(74)67(16)50(60(11,12)79)59(78)80-49(38(10)18-2)58(77)65(14)46(36(7)8)53(72)62-42(33-39-26-21-19-22-27-39)54(73)66(15)47(48(69)40-28-23-20-24-29-40)57(76)68-31-25-30-43(68)51(70)63-44/h19-24,26-29,34-38,41-50,69,79H,17-18,25,30-33H2,1-16H3,(H,61,71)(H,62,72)(H,63,70)/t37-,38+,41+,42+,43+,44+,45+,46+,47+,48-,49-,50-/m1/s1
SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)C(C(O)c2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Asp IPP
Organism
Kingdom Family Species Reference
FungiDothioraceaeAureobasidium pullulans R106 Ref.
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