input word = C00039560

Metabolite InformationStructural formula
Name Kitastatin 1
Formula C36H53N3O12
Mw 719.36292418
CAS RN 947331-56-8
C_ID C00039560 ,
InChIKey NHGPGFIEZTYBBN-UHFFFAOYNA-N
InChICode InChI=1S/C36H53N3O12/c1-11-19(6)28-31(43)38-24(15-17(2)3)29(41)36(9,10)35(47)50-25(16-18(4)5)33(45)48-20(7)26(34(46)49-21(8)32(44)51-28)39-30(42)22-13-12-14-23(37)27(22)40/h12-14,17-21,24-26,28,40H,11,15-16,37H2,1-10H3,(H,38,43)(H,39,42)/t19-,20-,21-,24+,25+,26+,28-/m1/s1
SMILES [C@@H]1([C@H](OC(=O)[C@@H](OC(=O)C(C(=O)[C@@H](NC(=O)[C@H](OC(=O)[C@H](OC1=O)C)[C@@H](CC)C)CC(C)C)(C)C)CC(C)C)C)NC(=O)c1c(c(ccc1)N)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeKitasatospora sp. Ref.
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OrganismKitasatospora sp.
ReferencePettit,J.Nat.Prod.,70,(2007),1070