input word = C00045911

Metabolite InformationStructural formula
Name Epothilone D1
(-)-Epothilone D1
Formula C26H39NO5S
Mw 477.25489409
CAS RN 252917-35-4
C_ID C00045911 ,
InChIKey PPADMZQKLQKZMX-BIIAZYTENA-N
InChICode InChI=1S/C26H39NO5S/c1-15-8-7-9-16(2)25(30)19(5)26(31)18(4)22(28)13-24(29)32-23(11-10-15)17(3)12-21-14-33-20(6)27-21/h10,12,14,16,18-19,22-23,25,28,30H,7-9,11,13H2,1-6H3/b15-10-,17-12+/t16-,18-,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]([C@@H]1C)O)/C(=C/c1nc(sc1)C)/C)/C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
--Sorangium cellulosum Ref.
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