input word = C00045900

Metabolite InformationStructural formula
Name Epothilone A9
(-)-Epothilone A9
Formula C26H39NO7S
Mw 509.24472334
CAS RN 252917-32-1
C_ID C00045900 ,
InChIKey XSZHNNYJIPRFJZ-HWTTXSDINA-N
InChICode InChI=1S/C26H39NO7S/c1-14-7-6-8-19-21(33-19)10-20(17(12-28)9-18-13-35-16(3)27-18)34-23(30)11-22(29)26(4,5)25(32)15(2)24(14)31/h9,13-15,19-22,24,28-29,31H,6-8,10-12H2,1-5H3/b17-9+/t14-,15+,19+,20-,21-,22-,24+/m0/s1
SMILES Cc1nc(/C=C(CO)[C@@H]2C[C@@H]3O[C@@H]3CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O2)cs1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Sorangium cellulosum Ref.
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