input word = C00050287

Metabolite InformationStructural formula
Name Kawaguchipeptin B
(-)-Kawaguchipeptin B
Formula C58H76N16O18
Mw 1284.55234974
CAS RN 190952-24-0
C_ID C00050287 ,
InChIKey AFDPMSAJJZIIQX-TXUAZZSKNA-N
InChICode InChI=1S/C58H76N16O18/c1-26(2)15-34-50(84)68-37(18-43(59)77)49(83)64-24-46(80)65-40(21-47(81)82)55(89)70-39(20-45(61)79)54(88)69-38(19-44(60)78)53(87)67-35(16-28-22-62-32-11-6-4-9-30(28)32)52(86)72-41(25-75)56(90)73-48(27(3)76)58(92)74-14-8-13-42(74)57(91)71-36(51(85)66-34)17-29-23-63-33-12-7-5-10-31(29)33/h4-7,9-12,22-23,26-27,34-42,48,62-63,75-76H,8,13-21,24-25H2,1-3H3,(H2,59,77)(H2,60,78)(H2,61,79)(H,64,83)(H,65,80)(H,66,85)(H,67,87)(H,68,84)(H,69,88)(H,70,89)(H,71,91)(H,72,86)(H,73,90)(H,81,82)/t27-,34+,35+,36+,37+,38+,39+,40+,41+,42+,48+/m1/s1
SMILES [C@@H]1(C(=O)N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)Cc1c[nH]c3c1cccc3)CC(=O)N)CC(=O)N)CC(=O)O)CC(=O)N)CC(C)C)Cc1c3c([nH]c1)cccc3)CCC2)[C@@H](C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
--Microcystis aeruginosa NIES-88 Ref.
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