input word = C00016108

Metabolite InformationStructural formula
Name Topostatin
Topostatin (Thermomonospora alba)
Formula C36H58N4O11S
Mw 754.38227946
CAS RN 219774-62-6
C_ID C00016108 ,
InChIKey XLDIAUNLPWGNHO-XWZQQIMHNA-N
InChICode InChI=1S/C36H58N4O11S/c1-8-9-10-11-12-13-22(2)14-15-23(3)16-18-29(41)24(4)17-19-30-26(6)34(44)39-27(7)35(45)38-21-25(5)33(43)40-28(36(46)50-30)20-31(32(37)42)51-52(47,48)49/h15-16,18,22,24-26,28,30-31H,7-14,17,19-21H2,1-6H3,(H2,37,42)(H,38,45)(H,39,44)(H,40,43)(H,47,48,49)/b18-16+,23-15+/t22-,24+,25-,26-,28-,30+,31+/m1/s1
SMILES C1NC(=O)C(=C)NC(=O)[C@@H]([C@@H](OC(=O)[C@H](NC(=O)[C@@H]1C)C[C@@H](C(=O)N)OS(=O)(=O)O)CC[C@H](C)C(=O)/C=C/C(=C/C[C@@H](CCCCCCC)C)/C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaMicromonosporaceaeThermomonospora alba No.1520 Ref.
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