Compound ID | 2680

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Polymyxin S1

Class: Antimicrobial peptide

Spectrum of activity: Gram-negative
Details of activity: Active against Escherichia coli, Klebsiella pneumoniae, Salmonella typhimurium, and Pseudomonas aeruginosa; disrupts integrity of cell membrane
Description: Natural product from Bacillus polymyxa; co-discovered in complex with Polymyxin T1; active in vivo
Institute where first reported: Shionogi Research Laboratory, Shionogi & Co., Ltd., Fukushima-ku, Osaka, 553 Japan
Year first mentioned: 1977
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1178.38
Iso. SMILES: CC[C@H](C)CCCCC(=O)N[C@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CO)C(=O)N[C@H]1CCNC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)CCN)CC2=CC=CC=C2)[C@@H](C)O)CCN)CCN)[C@H](C)O
InChI Key: QKTORMYLLAWGLE-BOZMKJNLSA-N
Can. SMILES: CC[C@H](C)CCCCC(=O)N[C@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CO)C(=O)N[C@H]1CCNC(=O)[C@@H]([C@H](C)O)NC(=O)[C@@H](CCN)NC(=O)[C@@H](CCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](CCN)NC1=O
InChI: InChI=1S/C53H91N15O15/c1-6-28(2)12-10-11-15-40(73)59-33(16-21-54)47(77)67-43(31(5)72)53(83)65-39(27-69)50(80)62-37-20-25-58-51(81)41(29(3)70)66-48(78)36(19-24-57)61-44(74)35(18-23-56)63-52(82)42(30(4)71)68-49(79)38(26-32-13-8-7-9-14-32)64-45(75)34(17-22-55)60-46(37)76/h7-9,13-14,28-31,33-39,41-43,69-72H,6,10-12,15-27,54-57H2,1-5H3,(H,58,81)(H,59,73)(H,60,76)(H,61,74)(H,62,80)(H,63,82)(H,64,75)(H,65,83)(H,66,78)(H,67,77)(H,68,79)/t28-,29-,30+,31+,33+,34+,35+,36+,37-,38-,39+,41+,42-,43-/m0/s1
External links:
Citations:
  • https://www.jstage.jst.go.jp/article/antibiotics1968/30/12/30_12_1035/_pdf
  • https://www.jstage.jst.go.jp/article/antibiotics1968/30/5/30_5_427/_pdf
  • https://www.jstage.jst.go.jp/article/antibiotics1968/30/12/30_12_1029/_pdf/-char/en

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