input word = C00014916

Metabolite InformationStructural formula
Name Ikarugamycin epoxide
Formula C29H38N2O5
Mw 494.27807234
CAS RN 617711-43-0
C_ID C00014916 ,
InChIKey ILJATJVPFHQTCD-UQKDXWLQNA-N
InChICode InChI=1S/C29H38N2O5/c1-3-16-14(2)12-18-19-13-15-9-10-21(32)25-26(34)20(31-29(25)35)7-5-11-30-22(33)8-4-6-17(15)24(19)28-27(36-28)23(16)18/h4,8-10,14-20,23-24,27-28,34H,3,5-7,11-13H2,1-2H3,(H,30,33)(H,31,35)/b8-4+,10-9-/t14-,15+,16-,17+,18-,19-,20+,23+,24+,27+,28?/m1/s1
SMILES [C@H]12[C@@H]([C@@H]3[C@@H]([C@H]4[C@H]1O4)[C@@H]1[C@H](C3)/C=C\C(=O)C3=C([C@H](CCCNC(=O)/C=C/C1)NC3=O)O)C[C@H]([C@H]2CC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. Tu 6239 Ref.
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