input word = C00017194

Metabolite InformationStructural formula
Name Mycinamicin XI
Formula C42H70N2O16S
Mw 890.44460493
CAS RN 121769-10-6
C_ID C00017194 ,
InChIKey UGQQQUPACCVGRT-MKEIOLPKNA-N
InChICode InChI=1S/C42H70N2O16S/c1-12-30-42(52,19-55-41-37(54-11)36(53-10)32(48)24(6)57-41)38-35(59-38)29(61-18-26(39(50)51)43-25(7)45)17-28(46)21(3)15-22(4)34(20(2)13-14-31(47)58-30)60-40-33(49)27(44(8)9)16-23(5)56-40/h13-14,20-24,26-27,29-30,32-38,40-41,48-49,52H,12,15-19H2,1-11H3,(H,43,45)(H,50,51)/b14-13+/t20-,21+,22-,23-,24+,26-,27+,29+,30-,32-,33+,34-,35+,36+,37-,38-,40+,41-,42-/m1/s1
SMILES CCC1OC(=O)/C=C/C(C)C(O[C@@H]2OC(C)C[C@H](N(C)C)C2O)C(C)CC(C)C(=O)CC(SCC(NC(C)=O)C(=O)O)C2OC2C1(O)CO[C@@H]1OC(C)[C@@H](O)[C@H](OC)C1OC
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg
Organism
Kingdom Family Species Reference
BacteriaMicromonosporaceaeMicromonospora griseorubida Ref.
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