input word = C00017149

Metabolite InformationStructural formula
Name Aureobasidin P
Antibiotic R 106XIV
Formula C59H90N8O10
Mw 1070.67799115
CAS RN 127785-73-3
C_ID C00017149 ,
InChIKey QNUNLUGOYVFWOP-UHFFFAOYNA-N
InChICode InChI=1S/C59H90N8O10/c1-16-38(11)47-53(70)62-46(35(5)6)52(69)60-42(31-34(3)4)56(73)66(15)49(37(9)10)59(76)77-50(39(12)17-2)58(75)65(14)48(36(7)8)54(71)61-43(32-40-25-20-18-21-26-40)55(72)64(13)45(33-41-27-22-19-23-28-41)57(74)67-30-24-29-44(67)51(68)63-47/h18-23,25-28,34-39,42-50H,16-17,24,29-33H2,1-15H3,(H,60,69)(H,61,71)(H,62,70)(H,63,68)/t38-,39+,42+,43-,44-,45+,46-,47+,48+,49-,50-/m0/s1
SMILES CCC(C)C1NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)N(C)C(=O)C(Cc2ccccc2)NC(=O)C(C(C)C)N(C)C(=O)C(C(C)CC)OC(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)NC(=O)C(C(C)C)NC1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
FungiDothioraceaeAureobasidium pullulans R106 Ref.
zoom in