input word = C00017193

Metabolite InformationStructural formula
Name Mycinamicin X
Formula C42H70N2O15S
Mw 874.44969031
CAS RN 121769-09-3
C_ID C00017193 ,
InChIKey AUJBLORQUYXAHV-OXSJXEDINA-N
InChICode InChI=1S/C42H70N2O15S/c1-12-30-26(18-54-42-39(53-11)38(52-10)33(48)24(6)56-42)36-37(58-36)31(60-19-27(40(50)51)43-25(7)45)17-29(46)21(3)15-22(4)35(20(2)13-14-32(47)57-30)59-41-34(49)28(44(8)9)16-23(5)55-41/h13-14,20-24,26-28,30-31,33-39,41-42,48-49H,12,15-19H2,1-11H3,(H,43,45)(H,50,51)/b14-13+/t20-,21-,22+,23+,24-,26+,27-,28+,30+,31-,33+,34-,35+,36+,37-,38-,39+,41-,42+/m0/s1
SMILES O1[C@H]2[C@H](CC(=O)[C@H](C[C@H]([C@@H]([C@H](/C=C/C(=O)O[C@@H]([C@H]([C@@H]12)CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C)O)OC)OC)CC)C)O[C@H]1[C@H]([C@@H](C[C@H](O1)C)N(C)C)O)C)C)SC[C@H](NC(=O)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg L-Asp
Organism
Kingdom Family Species Reference
BacteriaMicromonosporaceaeMicromonospora griseorubida Ref.
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