input word = C00016310

Metabolite InformationStructural formula
Name Malolactomycin D
Formula C61H107N3O20
Mw 1201.74479288
CAS RN 189759-06-6
C_ID C00016310 ,
InChIKey PQURQOOZPVJPIM-NNTIDCKUNA-N
InChICode InChI=1S/C61H107N3O20/c1-33(16-12-10-11-15-23-64-60(62)63)24-37(5)57-36(4)17-13-14-18-46(67)38(6)49(70)27-43(66)25-42(65)26-44(82-55(77)31-54(75)76)28-45-29-52(73)58(79)61(81,84-45)32-53(74)34(2)19-21-47(68)39(7)50(71)30-51(72)40(8)48(69)22-20-35(3)56(78)41(9)59(80)83-57/h13-14,16-18,20,34,36-53,56-58,65-74,78-79,81H,10-12,15,19,21-32H2,1-9H3,(H,75,76)(H4,62,63,64)/b17-13+,18-14+,33-16+,35-20+/t34-,36+,37-,38-,39+,40+,41+,42-,43+,44+,45-,46-,47-,48-,49-,50-,51-,52+,53-,56+,57+,58+,61+/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)N)/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.
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OrganismStreptomyces strain KP-3144
ReferenceTanaka,J.Antibiotics 50,(1997),194