input word = C00018364

Metabolite InformationStructural formula
Name Kijanimicin
NSC 329515
Formula C67H100N2O24
Mw 1316.66660214
CAS RN 78798-08-0
C_ID C00018364 ,
InChIKey AAHYWTFSLXCSNH-RSLGWNBONA-N
InChICode InChI=1S/C67H100N2O24/c1-29-15-18-45(88-52-27-65(11,69(79)80)60(38(10)87-52)68-64(78)82-14)30(2)20-40-21-39(28-70)33(5)26-67(40)62(76)53(63(77)93-67)61(75)66(12)42(29)17-16-41-54(66)31(3)19-32(4)57(41)91-51-24-46(56(74)35(7)84-51)89-50-25-47(90-48-22-43(71)55(73)34(6)83-48)59(37(9)86-50)92-49-23-44(72)58(81-13)36(8)85-49/h15-17,20-21,31-38,40-52,54-60,70-74,76H,18-19,22-28H2,1-14H3,(H,68,78)/b29-15-,30-20+/t31-,32-,33+,34-,35-,36-,37-,38+,40+,41-,42-,43+,44+,45-,46+,47+,48-,49+,50-,51-,52-,54+,55-,56-,57-,58-,59-,60-,65-,66+,67-/m0/s1
SMILES [C@@H]1(C(=C[C@@H]2[C@]3(C1)OC(=O)C(=C3O)C(=O)[C@@]1([C@H](/C(=C\C[C@@H](/C(=C/2)/C)O[C@H]2C[C@]([C@H]([C@H](O2)C)NC(=O)OC)(C)[N+](=O)[O-])/C)C=C[C@H]2[C@H]1[C@H](C[C@@H]([C@@H]2O[C@@H]1O[C@H]([C@@H]([C@@H](C1)O[C@@H]1O[C@H]([C@@H]([C@@H](C1)O[C@@H]1O[C@H]([C@@H]([C@@H](C1)O)O)C)O[C@H]1O[C@H]([C@@H]([C@@H](C1)O)OC)C)C)O)C)C)C)C)CO)C
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg
Organism
Kingdom Family Species Reference
BacteriaThermomonosporaceaeActinomadura kijaniata SCC 1256 (ATCC 31588) Ref.
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