input word = C00017137

Metabolite InformationStructural formula
Name Aureobasidin D
Antibiotic R 106III
Formula C60H92N8O11
Mw 1100.68855584
CAS RN 127757-30-6
C_ID C00017137 ,
InChIKey UYMZQZSAAAVOHF-UHFFFAOYNA-N
InChICode InChI=1S/C60H92N8O11/c1-16-38(9)47-58(76)65(13)48(36(5)6)53(71)61-43(31-35(3)4)56(74)67(15)50(40(11)34-69)60(78)79-51(39(10)17-2)59(77)66(14)49(37(7)8)54(72)62-44(32-41-25-20-18-21-26-41)55(73)64(12)46(33-42-27-22-19-23-28-42)57(75)68-30-24-29-45(68)52(70)63-47/h18-23,25-28,35-40,43-51,69H,16-17,24,29-34H2,1-15H3,(H,61,71)(H,62,72)(H,63,70)/t38-,39-,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@H](CO)C)[C@@H](C)CC)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.
zoom in