input word = C00015148

Metabolite InformationStructural formula
Name Tripropeptin B
Formula C50H81N11O19
Mw 1139.57101949
CAS RN 363164-62-9
C_ID C00015148 ,
InChIKey HDRXFYLSJDHVBY-UQULMQBDNA-N
InChICode InChI=1S/C50H81N11O19/c1-25(2)13-8-6-4-5-7-9-14-27-23-33(65)56-34(26(3)63)46(74)60-21-12-17-31(60)45(73)59-20-11-16-30(59)41(69)54-28(15-10-19-53-50(51)52)40(68)57-35(38(66)47(75)76)42(70)55-29(24-62)44(72)61-22-18-32(64)37(61)43(71)58-36(49(79)80-27)39(67)48(77)78/h25-32,34-39,62-64,66-67H,4-24H2,1-3H3,(H,54,69)(H,55,70)(H,56,65)(H,57,68)(H,58,71)(H,75,76)(H,77,78)(H4,51,52,53)/t26-,27-,28+,29+,30+,31-,32+,34-,35-,36+,37+,38-,39+/m1/s1
SMILES CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N2CCC[C@@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](O)C(=O)O)C(=O)N[C@@H](CO)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)C(=O)O)C(=O)O1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaXanthomonadaceaeLysobacter sp. BMK333-48F3 Ref.
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