input word = C00014886

Metabolite InformationStructural formula
Name 21,26-Dihydroxyepothilone D
Formula C27H41NO7S
Mw 523.2603734
CAS RN 240816-07-3
C_ID C00014886 ,
InChIKey WFGBIZQKLKDZTA-KTGKYNNENA-N
InChICode InChI=1S/C27H41NO7S/c1-16-7-6-8-19(13-29)9-10-21(17(2)11-20-15-36-23(14-30)28-20)35-24(32)12-22(31)27(4,5)26(34)18(3)25(16)33/h9,11,15-16,18,21-22,25,29-31,33H,6-8,10,12-14H2,1-5H3/b17-11+,19-9+/t16-,18+,21-,22-,25-/m0/s1
SMILES C1(=O)[C@@H]([C@H]([C@H](CCC/C(=C\C[C@H](OC(=O)C[C@@H](C1(C)C)O)/C(=C/c1nc(sc1)CO)/C)/CO)C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro
Organism
Kingdom Family Species Reference
--Amycolata autotrophica Ref.
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