input word = C00045904

Metabolite InformationStructural formula
Name Epothilone C3
(-)-Epothilone C3
Formula C25H37NO5S
Mw 463.23924403
CAS RN 252917-38-7
C_ID C00045904 ,
InChIKey UBEGTFAXEAHJDQ-BJRNFQSINA-N
InChICode InChI=1S/C25H37NO5S/c1-16-10-8-6-7-9-11-21(17(2)12-19-15-32-18(3)26-19)31-24(30)14-23(29)25(4,5)22(28)13-20(16)27/h7,9,12,15-16,20-21,23,27,29H,6,8,10-11,13-14H2,1-5H3/b9-7-,17-12+/t16-,20+,21-,23-/m0/s1
SMILES C1(=O)C[C@H]([C@H](CCC/C=C\C[C@H](OC(=O)C[C@@H](C1(C)C)O)/C(=C/c1nc(sc1)C)/C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Sorangium cellulosum Ref.
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