input word = C00045913

Metabolite InformationStructural formula
Name Epothilone D5
(-)-Epothilone D5
Formula C27H39NO5S
Mw 489.25489409
CAS RN 252917-40-1
C_ID C00045913 ,
InChIKey OQUHUZWYEYDRMH-XPJFWZOWNA-N
InChICode InChI=1S/C27H39NO5S/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/h10-11,13,15,19,22-23,25,29,31H,8-9,12,14H2,1-7H3/b16-11-,17-10+,18-13+/t19-,22+,23+,25+/m1/s1
SMILES C1(=O)[C@@H]([C@H](/C(=C/CC/C(=C\C[C@H](OC(=O)C[C@@H](C1(C)C)O)/C(=C/c1nc(sc1)C)/C)/C)/C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro
Organism
Kingdom Family Species Reference
--Sorangium cellulosum Ref.
zoom in