input word = C00028253

Metabolite InformationStructural formula
Name Epothilone D
Formula C27H41NO5S
Mw 491.27054416
CAS RN 189453-10-9
C_ID C00028253 ,
InChIKey XOZIUKBZLSUILX-KKWCUJPGNA-N
InChICode InChI=1S/C27H41NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h11,13,15,17,19,22-23,25,29,31H,8-10,12,14H2,1-7H3/b16-11-,18-13+/t17-,19+,22-,23-,25-/m0/s1
SMILES C1(=O)[C@@H]([C@H]([C@H](CCC/C(=C\C[C@H](OC(=O)C[C@@H](C1(C)C)O)/C(=C/c1csc(n1)C)/C)/C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaMyxoccaceaeMyxococcus xanthus Ref.
--Sorangium cellulosum So.ce90/B2 Ref.
zoom in