input word = C00015064

Metabolite InformationStructural formula
Name Arylomycin B1
Formula C41H57N7O13
Mw 855.40143496
CAS RN 459844-24-7
C_ID C00015064 ,
InChIKey TXSLSLUAOWKEOP-HHUFBBRUNA-N
InChICode InChI=1S/C41H57N7O13/c1-22(2)12-10-8-7-9-11-13-33(51)46(5)31(21-49)39(56)43-23(3)37(54)42-20-34(52)47(6)35-26-14-15-32(50)27(19-26)28-16-25(18-30(36(28)53)48(60)61)17-29(41(58)59)45-38(55)24(4)44-40(35)57/h14-16,18-19,22-24,29,31,35,49-50,53H,7-13,17,20-21H2,1-6H3,(H,42,54)(H,43,56)(H,44,57)(H,45,55)(H,58,59)/t23-,24+,29-,31-,35-/m1/s1
SMILES N([C@@H](C(=O)N[C@@H](C(=O)NCC(=O)N([C@H]1C(=O)N[C@H](C(=O)N[C@H](Cc2cc(c3cc1ccc3O)c(c(c2)[N+](=O)[O-])O)C(=O)O)C)C)C)CO)(C)C(=O)CCCCCCCC(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. Tu 6075 Ref.
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