input word = C00016201

Metabolite InformationStructural formula
Name Quinoxapeptin B
Formula C65H80N16O22
Mw 1436.56330836
CAS RN 175484-08-9
C_ID C00016201 ,
InChIKey MQKVZMVMMDIFJL-PPWLKBAZNA-N
InChICode InChI=1S/C65H80N16O22/c1-32-21-36(32)61(93)103-46-18-20-71-81-52(46)58(90)69-27-48(84)77(8)29-50(86)79(10)53(64(3,4)96)62(94)100-30-43(74-55(87)41-24-66-39-22-34(98-11)13-15-37(39)72-41)59(91)80-51(45(17-19-70-80)102-33(2)82)57(89)68-26-47(83)76(7)28-49(85)78(9)54(65(5,6)97)63(95)101-31-44(60(81)92)75-56(88)42-25-67-40-23-35(99-12)14-16-38(40)73-42/h13-16,19-20,22-25,32,36,43-46,51-54,96-97H,17-18,21,26-31H2,1-12H3,(H,68,89)(H,69,90)(H,74,87)(H,75,88)/t32-,36-,43+,44+,45-,46-,51-,52-,53+,54+/m0/s1
SMILES COc1ccc2nc(C(=O)N[C@@H]3COC(=O)[C@H](C(C)(C)O)N(C)C(=O)CN(C)C(=O)CNC(=O)[C@@H]4[C@@H](OC(=O)[C@H]5C[C@@H]5C)CC=NN4C(=O)[C@H](NC(=O)c4cnc5cc(OC)ccc5n4)COC(=O)[C@H](C(C)(C)O)N(C)C(=O)CN(C)C(=O)CNC(=O)[C@@H]4[C@@H](OC(C)=O)CC=NN4C3=O)cnc2c1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
--Actinomycete sp. MA7095 (ATCC 55599) Ref.
zoom in