input word = C00046472

Metabolite InformationStructural formula
Name trans-Epothilone C2
Formula C25H37NO5S
Mw 463.23924403
CAS RN 252917-49-0
C_ID C00046472 ,
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/C(=Cc1csc(C)n1)[C@@H]1C/C=C/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)[C@@H](O)CC(=O)O1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Sorangium cellulosum Ref.
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