input word = C00018413

Metabolite InformationStructural formula
Name Antrimycin B
Formula C31H53N9O11
Mw 727.3864536
CAS RN 82518-60-3
C_ID C00018413 ,
InChIKey IJJBWCDJBSWQCR-CJLVFECKNA-N
InChICode InChI=1S/C31H53N9O11/c1-6-16(3)22(27(47)37-20(15-43)29(49)50)38-25(45)19(7-2)36-26(46)21-9-8-12-34-40(21)28(48)23(17(4)32)39-24(44)18(5)35-30(51)31(33,10-13-41)11-14-42/h12,17-21,23,41-43H,6-11,13-15,32-33H2,1-5H3,(H,35,51)(H,36,46)(H,37,47)(H,38,45)(H,39,44)(H,49,50)/b22-16+/t17-,18-,19-,20+,21-,23-/m0/s1
SMILES CC/C(C)=C(/NC(=O)C(CC)NC(=O)C1CCC=NN1C(=O)C(NC(=O)C(C)NC(=O)C(N)(CCO)CCO)C(C)N)C(=O)NC(CO)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces xanthocidicus MG125-CF1 Ref.
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