input word = C00016537

Metabolite InformationStructural formula
Name Aureobasidin T4
Formula C61H94N8O11
Mw 1114.7042059
CAS RN 158313-50-9
C_ID C00016537 ,
InChIKey IGRZNIQHUMUREQ-UHFFFAOYNA-N
InChICode InChI=1S/C61H94N8O11/c1-17-38(8)47-58(76)67(15)49(39(9)18-2)54(72)62-43(33-36(4)5)56(74)68(16)51(61(11,12)79)60(78)80-50(40(10)19-3)59(77)66(14)48(37(6)7)53(71)63-44(34-41-27-22-20-23-28-41)55(73)65(13)46(35-42-29-24-21-25-30-42)57(75)69-32-26-31-45(69)52(70)64-47/h20-25,27-30,36-40,43-51,79H,17-19,26,31-35H2,1-16H3,(H,62,72)(H,63,71)(H,64,70)/t38-,39+,40+,43+,44+,45+,46+,47+,48-,49-,50-,51-/m0/s1
SMILES C1(=O)[C@@H](OC(=O)[C@H](N(C(=O)[C@H](NC(=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](N1C)C(C)C)Cc1ccccc1)C)Cc1ccccc1)CCC2)[C@H](CC)C)C)[C@@H](CC)C)CC(C)C)C)C(O)(C)C)[C@@H](CC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Asp IPP
Organism
Kingdom Family Species Reference
FungiDothioraceaeAureobasidium pullulans R106 Ref.
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