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 O1[C@@H]2CCC[C@@H]([C@H]([C@H](C(=O)C([C@H](CC(=O)O[C@@H](C[C@H]12)/C(=C/c1nc(sc1)C)/CO)O)(C)C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Sorangium cellulosum Ref.
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OrganismSorangium cellulosum
ReferenceHardt,J.Nat.Prod.,64,(2001),847