input word = C00016248

Metabolite InformationStructural formula
Name Kanchanamycin A
Formula C54H90N2O18
Mw 1054.61886409
CAS RN 181637-98-9
C_ID C00016248 ,
InChIKey LLKMUSZUPKLZDW-ONKXNGKDNA-N
InChICode InChI=1S/C54H90N2O18/c1-32-16-12-13-20-49(67)73-51(35(4)17-11-9-7-8-10-14-23-56-53(55)70)36(5)19-15-18-33(2)43(60)26-39(58)24-38(57)25-40(72-50(68)30-48(65)66)27-41-28-46(63)52(69)54(71,74-41)31-47(64)34(3)21-22-42(59)37(6)45(62)29-44(32)61/h7-8,12-13,15-16,18-20,32,34-47,51-52,57-64,69,71H,9-11,14,17,21-31H2,1-6H3,(H,65,66)(H3,55,56,70)/b8-7+,16-12+,19-15+,20-13+,33-18+/t32-,34-,35+,36+,37-,38-,39+,40-,41+,42-,43+,44-,45-,46+,47+,51+,52-,54+/m0/s1
SMILES C[C@@H]1[C@H](C[C@@H]([C@H]([C@H](CC[C@@H]([C@@H](C[C@@]2([C@H]([C@H](O)C[C@H](O2)C[C@@H](OC(=O)CC(=O)O)C[C@@H](O)C[C@H](C[C@@H](O)/C(=C/C=C\[C@@H](C)[C@@H]([C@@H](CCC/C=C/CCCNC(=O)N)C)OC(=O)/C=C/C=C/1)/C)O)O)O)O)C)O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces olivaceus Tu 4018 Ref.
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