input word = C00016112

Metabolite InformationStructural formula
Name (-)-Aflastatin B
Aflastatin B
Formula C61H113NO24
Mw 1243.76525355
CAS RN 219797-67-8
C_ID C00016112 ,
InChIKey UEBSTAVTZMKVSQ-CLEHRKCZNA-N
InChICode InChI=1S/C61H113NO24/c1-11-12-13-14-15-16-17-18-37(63)27-61(85)59(83)58(82)56(80)46(86-61)26-45(71)55(79)57(81)54(78)44(70)24-39(65)22-38(64)23-40(66)31(5)49(73)32(6)41(67)25-42(68)33(7)50(74)34(8)51(75)35(9)52(76)43(69)21-29(3)19-28(2)20-30(4)48(72)47-53(77)36(10)62-60(47)84/h20,28-29,31-46,49-52,54-59,63-76,78-83,85H,11-19,21-27H2,1-10H3,(H,62,84)/b30-20+,48-47+/t28-,29+,31+,32-,33+,34+,35+,36-,37-,38-,39+,40-,41+,42+,43+,44-,45-,46-,49-,50-,51+,52-,54+,55-,56-,57-,58+,59+,61+/m1/s1
SMILES C\1(=C(/C(=C/[C@@H](C[C@@H](C[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@H]([C@H](C[C@@H]([C@H]([C@@H]([C@H]([C@@H](C[C@@H](C[C@@H](C[C@H]([C@@H]([C@H]([C@@H]([C@@H](C[C@H]2O[C@@]([C@H]([C@H]([C@@H]2O)O)O)(O)C[C@@H](CCCCCCCCC)O)O)O)O)O)O)O)O)O)C)O)C)O)O)C)O)C)O)C)O)O)C)C)/C)\O)/C(=O)N[C@@H](C1=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. MRI 142 Ref.
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