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 C/C(=Cc1csc(CO)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
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.
zoom in