input word = C00017178

Metabolite InformationStructural formula
Name Obelmycin D
Formula C60H88N2O23
Mw 1204.57778713
CAS RN 107807-17-0
C_ID C00017178 ,
InChIKey NWSULKNDMBRCNS-GUTPKONVNA-N
InChICode InChI=1S/C60H88N2O23/c1-12-60(73)23-38(80-41-19-30(61(8)9)55(26(4)76-41)83-43-21-36(67)57(28(6)78-43)81-39-17-15-32(63)24(2)74-39)47-50(54(72)49-48(53(47)71)51(69)45-34(65)13-14-35(66)46(45)52(49)70)59(60)85-42-20-31(62(10)11)56(27(5)77-42)84-44-22-37(68)58(29(7)79-44)82-40-18-16-33(64)25(3)75-40/h13-14,24-33,36-44,55-59,63-68,71-73H,12,15-23H2,1-11H3/t24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,36-,37+,38-,39-,40-,41-,42-,43+,44-,55-,56-,57+,58-,59-,60+/m0/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)[C@@H](C3)O)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