input word = C00045902

Metabolite InformationStructural formula
Name Epothilone C1
(-)-Epothilone C1
Formula C25H37NO5S
Mw 463.23924403
CAS RN 252917-34-3
C_ID C00045902 ,
InChIKey GGEZPMGQYPDHAV-QVQNSNPBNA-N
InChICode InChI=1S/C25H37NO5S/c1-15-10-8-6-7-9-11-22(16(2)12-20-14-32-19(5)26-20)31-23(28)13-21(27)17(3)25(30)18(4)24(15)29/h7,9,12,14-15,17-18,21-22,24,27,29H,6,8,10-11,13H2,1-5H3/b9-7-,16-12+/t15-,17+,18+,21-,22-,24-/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)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Sorangium cellulosum Ref.
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