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 C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1
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.
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