input word = C00016250

Metabolite InformationStructural formula
Name Kanchanamycin D
Formula C55H92N2O18
Mw 1068.63451415
CAS RN 181637-99-0
C_ID C00016250 ,
InChIKey OSYCGXNFXHMGMC-PSVQOQQQNA-N
InChICode InChI=1S/C55H92N2O18/c1-33-17-13-14-21-50(68)74-52(36(4)18-12-10-8-9-11-15-24-57-54(56)71)37(5)20-16-19-34(2)44(61)27-40(59)25-39(58)26-41(73-51(69)31-49(66)67)28-42-29-47(64)53(70)55(72-7,75-42)32-48(65)35(3)22-23-43(60)38(6)46(63)30-45(33)62/h8-9,13-14,16-17,19-21,33,35-48,52-53,58-65,70H,10-12,15,18,22-32H2,1-7H3,(H,66,67)(H3,56,57,71)/b9-8+,17-13+,20-16+,21-14+,34-19+/t33-,35-,36+,37+,38+,39-,40+,41+,42+,43+,44-,45+,46-,47+,48-,52+,53-,55-/m1/s1
SMILES COC12CC(O)C(C)CCC(O)C(C)C(O)CC(O)C(C)/C=C/C=C/C(=O)OC(C(C)CCC/C=C/CCCNC(N)=O)C(C)/C=C/C=C(C)C(O)CC(O)CC(O)CC(OC(=O)CC(=O)O)CC(CC(O)C1O)O2
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces olivaceus Tu 4018 Ref.
zoom in