input word = C00016592

Metabolite InformationStructural formula
Name Bacillopeptin B
Formula C47H74N10O16
Mw 1034.52842639
CAS RN 170900-32-0
C_ID C00016592 ,
InChIKey GVLISDGZEVBRHD-UHFFFAOYNA-N
InChICode InChI=1S/C47H74N10O16/c1-25(2)11-9-7-5-4-6-8-10-12-28-20-38(64)51-32(21-36(48)62)43(69)53-31(19-27-13-15-29(61)16-14-27)42(68)54-33(22-37(49)63)44(70)56-34(23-58)45(71)52-30(17-18-39(65)66)41(67)55-35(24-59)46(72)57-40(26(3)60)47(73)50-28/h13-16,25-26,28,30-35,40,58-61H,4-12,17-24H2,1-3H3,(H2,48,62)(H2,49,63)(H,50,73)(H,51,64)(H,52,71)(H,53,69)(H,54,68)(H,55,67)(H,56,70)(H,57,72)(H,65,66)/t26-,28+,30-,31+,32+,33-,34+,35+,40+/m1/s1
SMILES [C@H]1(NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](NC(=O)C[C@@H](NC1=O)CCCCCCCCCC(C)C)CC(=O)N)CC(=O)N)CO)CCC(=O)O)CO)[C@@H](C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaBacillaceaeBacillus subtilis FR-2 Ref.
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