input word = C00044747

Metabolite InformationStructural formula
Name Epothilone B
(-)-Epothilone B
Formula C27H41NO6S
Mw 507.26545878
CAS RN 152044-54-7
C_ID C00044747 ,
InChIKey QXRSDHAAWVKZLJ-LHMFBZSQNA-N
InChICode InChI=1S/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24+,27+/m0/s1
SMILES O1[C@@]2(CCC[C@@H]([C@H]([C@H](C(=O)C([C@H](CC(=O)O[C@@H](C[C@H]12)/C(=C\c1nc(sc1)C)/C)O)(C)C)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro
Organism
Kingdom Family Species Reference
BacteriaMyxoccaceaeMyxococcus xanthus Ref.
--Sorangium cellulosum Ref.
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