input word = C00045901

Metabolite InformationStructural formula
Name Epothilone B10
(-)-Epothilone B10
Formula C28H43NO6S
Mw 521.28110884
CAS RN 252917-33-2
C_ID C00045901 ,
InChIKey FBHLXXMDOGRQOQ-NYRRVEJINA-N
InChICode InChI=1S/C28H43NO6S/c1-8-23-29-19(15-36-23)12-17(3)20-13-22-28(7,35-22)11-9-10-16(2)25(32)18(4)26(33)27(5,6)21(30)14-24(31)34-20/h12,15-16,18,20-22,25,30,32H,8-11,13-14H2,1-7H3/b17-12+/t16-,18+,20-,21-,22-,25+,28+/m0/s1
SMILES O1[C@@]2(CCC[C@@H]([C@H]([C@H](C(=O)C([C@H](CC(=O)O[C@@H](C[C@H]12)/C(=C/c1nc(sc1)CC)/C)O)(C)C)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro
Organism
Kingdom Family Species Reference
--Sorangium cellulosum Ref.
zoom in