input word = C00027651

Metabolite InformationStructural formula
Name 10,11-Didehydroepothilone D
Epothilone 490
Formula C27H39NO5S
Mw 489.25489409
CAS RN 371979-40-7
C_ID C00027651 ,
InChIKey AEAGZTSEFUFUKN-MZGPVTNENA-N
InChICode InChI=1S/C27H39NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h8-9,11,13,15,17,19,22-23,25,29,31H,10,12,14H2,1-7H3/b9-8+,16-11-,18-13+/t17-,19+,22-,23-,25-/m0/s1
SMILES C1(=O)[C@@H]([C@H]([C@H](C/C=C/C(=C\C[C@H](OC(=O)C[C@@H](C1(C)C)O)/C(=C/c1nc(sc1)C)/C)/C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaMyxoccaceaeMyxococcus xanthus Ref.
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