input word = C00016309

Metabolite InformationStructural formula
Name Malolactomycin C
Formula C62H109N3O20
Mw 1215.76044295
CAS RN 189759-03-3
C_ID C00016309 ,
InChIKey XCVHAWZLPUJTAT-VRCLEKHYNA-N
InChICode InChI=1S/C62H109N3O20/c1-34(17-13-11-12-16-24-65-61(63)64-10)25-38(5)58-37(4)18-14-15-19-47(68)39(6)50(71)28-44(67)26-43(66)27-45(83-56(78)32-55(76)77)29-46-30-53(74)59(80)62(82,85-46)33-54(75)35(2)20-22-48(69)40(7)51(72)31-52(73)41(8)49(70)23-21-36(3)57(79)42(9)60(81)84-58/h14-15,17-19,21,35,37-54,57-59,66-75,79-80,82H,11-13,16,20,22-33H2,1-10H3,(H,76,77)(H3,63,64,65)/b18-14+,19-15+,34-17+,36-21+/t35-,37+,38-,39-,40+,41-,42+,43+,44+,45-,46-,47+,48+,49+,50-,51+,52?,53+,54-,57+,58+,59-,62-/m0/s1
SMILES [C@H]1([C@H]([C@@H](/C=C/C=C/[C@H]([C@@H](OC(=O)[C@@H]([C@@H](/C(=C/C[C@H]([C@@H]([C@H](C[C@H]([C@@H]([C@@H](CC[C@@H]([C@H](C[C@@]2(O[C@@H](C[C@H](C[C@@H](C[C@H](C1)O)O)OC(=O)CC(=O)O)C[C@H]([C@@H]2O)O)O)O)C)O)C)O)O)C)O)/C)O)C)[C@@H](C)C/C(=C/CCCCCNC(=N)NC)/C)C)O)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces strain KP-3144 Ref.
zoom in