input word = C00045914

Metabolite InformationStructural formula
Name Epothilone G1
Formula C26H39NO7
Mw 477.27265261
CAS RN 198570-99-9
C_ID C00045914 ,
InChIKey VKTJUSLRQGGFQY-PKPKFMLFNA-N
InChICode InChI=1S/C26H39NO7/c1-14-8-7-9-19-21(33-19)11-20(15(2)10-18-13-32-17(4)27-18)34-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19+,20-,21-,22-,24+/m0/s1
SMILES O1[C@@H]2CCC[C@@H]([C@H]([C@H](C(=O)C([C@H](CC(=O)O[C@@H](C[C@H]12)/C(=C/c1nc(oc1)C)/C)O)(C)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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OrganismSorangium cellulosum
ReferenceHardt,J.Nat.Prod.,64,(2001),847