input word = C00017177

Metabolite InformationStructural formula
Name Obelmycin C
Formula C60H88N2O22
Mw 1188.58287251
CAS RN 101301-12-6
C_ID C00017177 ,
InChIKey GTVYNXUSLXVORL-RTVNBSHANA-N
InChICode InChI=1S/C60H88N2O22/c1-12-60(72)24-39(80-43-21-31(61(8)9)57(29(6)76-43)83-45-23-37(67)58(30(7)78-45)82-41-19-16-34(64)26(3)74-41)48-51(55(71)50-49(54(48)70)52(68)46-35(65)13-14-36(66)47(46)53(50)69)59(60)84-44-22-32(62(10)11)56(28(5)77-44)81-42-20-17-38(27(4)75-42)79-40-18-15-33(63)25(2)73-40/h13-14,25-34,37-45,56-59,63-67,70-72H,12,15-24H2,1-11H3/t25-,26+,27-,28-,29-,30-,31+,32+,33+,34+,37-,38+,39+,40+,41+,42+,43-,44+,45+,56-,57+,58+,59-,60-/m1/s1
SMILES [C@@]1(C[C@@H](c2c([C@H]1O[C@@H]1O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@@H]([C@H](CC4)O)C)CC3)C)[C@H](C1)N(C)C)C)c(c1c(c2O)C(=O)c2c(C1=O)c(ccc2O)O)O)O[C@H]1O[C@@H]([C@H](O[C@@H]2O[C@@H]([C@H](O[C@@H]3O[C@H]([C@H](CC3)O)C)[C@@H](C2)O)C)[C@H](C1)N(C)C)C)(O)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces violaceus Ref.
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OrganismStreptomyces violaceus
ReferenceJohdo,J.Antibiotics 44,(1991),1110