input word = C00045905

Metabolite InformationStructural formula
Name Epothilone C4
(-)-Epothilone C4
Formula C25H37NO5S
Mw 463.23924403
CAS RN 192370-82-4
C_ID C00045905 ,
InChIKey BQWMEQIBCWMVHJ-PAFNAHCXNA-N
InChICode InChI=1S/C25H37NO5S/c1-16(13-19-15-32-18(3)26-19)21-12-10-8-6-7-9-11-20(27)17(2)24(30)25(4,5)22(28)14-23(29)31-21/h8,10,13,15,17,20-22,27-28H,6-7,9,11-12,14H2,1-5H3/b10-8-,16-13+/t17-,20+,21+,22+/m1/s1
SMILES C1(=O)[C@@H]([C@H](CCCC/C=C\C[C@H](OC(=O)C[C@@H](C1(C)C)O)/C(=C/c1nc(sc1)C)/C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Sorangium cellulosum Ref.
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