input word = C00015174

Metabolite InformationStructural formula
Name (-)-Epothilone E
Epothilone E
Formula C26H39NO7S
Mw 509.24472334
CAS RN 201049-37-8
C_ID C00015174 ,
InChIKey FCCNKYGSMOSYPV-YSBQCJRENA-N
InChICode InChI=1S/C26H39NO7S/c1-14-7-6-8-18-20(33-18)10-19(15(2)9-17-13-35-22(12-28)27-17)34-23(30)11-21(29)26(4,5)25(32)16(3)24(14)31/h9,13-14,16,18-21,24,28-29,31H,6-8,10-12H2,1-5H3/b15-9+/t14-,16+,18+,19-,20-,21-,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)CO)/C)O)(C)C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaPolyangiaceaePolyangium cellulosum So ce90 B2 Ref.
--Sorangium cellulosum Ref.
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