input word = C00016705

Metabolite InformationStructural formula
Name Desertomycin B
Formula C62H111N3O21
Mw 1233.77100763
CAS RN 121890-43-5
C_ID C00016705 ,
InChIKey FGOXBGQRVPYSFV-LGPGNUPONA-N
InChICode InChI=1S/C62H111N3O21/c1-32-15-10-11-19-47(73)38(7)55(78)33(2)16-12-17-35(4)60(83)84-51(37(6)46(72)20-14-24-65-62(63)64)21-13-18-41(67)26-42(68)28-48(74)39(8)56(79)40(9)49(75)29-43(69)27-44(70)30-50(76)52(25-36(5)54(77)34(3)22-23-45(32)71)85-61-59(82)58(81)57(80)53(31-66)86-61/h10,13,15,17-18,22-23,25,32-34,37-59,61,66-82H,11-12,14,16,19-21,24,26-31H2,1-9H3,(H4,63,64,65)/b15-10+,18-13+,23-22+,35-17+,36-25+/t32-,33-,34-,37+,38-,39-,40-,41+,42-,43-,44-,45-,46+,47-,48+,49-,50+,51-,52+,53+,54+,55+,56-,57+,58+,59+,61-/m0/s1
SMILES C1[C@H](C[C@@H](C[C@H]([C@@H](/C=C(/[C@@H]([C@H](/C=C/[C@@H]([C@H](/C=C/CC[C@@H]([C@@H]([C@@H]([C@H](CC/C=C(/C(=O)O[C@@H](C/C=C/[C@H](C[C@@H](C[C@H]([C@@H]([C@@H]([C@H]([C@H]1O)C)O)C)O)O)O)[C@@H]([C@@H](CCCNC(=N)N)O)C)\C)C)O)C)O)C)O)C)O)\C)O[C@@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. SD167 Ref.
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