input word = C00046471

Metabolite InformationStructural formula
Name trans-Epothilone C1
(-)-trans-Epothilone C1
Formula C25H37NO5S
Mw 463.23924403
CAS RN 252917-48-9
C_ID C00046471 ,
InChIKey GGEZPMGQYPDHAV-LQVUGXNXNA-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 [C@H]1([C@H]([C@H](CCC/C=C/C[C@H](OC(=O)C[C@@H]([C@H](C1=O)C)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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OrganismSorangium cellulosum
ReferenceHardt,J.Nat.Prod.,64,(2001),847