Compound ID | 2220

Update compound information

C20-epi-salinomycin derivative

Class: Small molecule antibacterial agent

Agent Type: Semisynthetic; Small molecule;
Spectrum of activity: Gram-positive
Mechanism of action: Unknown
Target Pathogen: Active against Staphylococcus aureus and Staphylococcus epidermidis
Description: Semisynthetic analogue of a Streptomyces albus natural product; a salinomycin; non-genotoxic in a Bacillus subtilis genotoxicity assay
Year first mentioned: 2022
Development status: Experimental
Chemical structure(s):
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Molecular weight: 772.98
Iso. SMILES: C[C@@H]1[C@@H]([C@H](C([C@@H](C)[C@H]([C@H](C)[C@@]2([H])[C@@H](C)CC[C@H]([C@H](C(O[Na])=O)CC)O2)O)=O)CC)O[C@]3(C=C[C@H](O)[C@@]4(O[C@@]([C@@H]5O[C@@H](C)[C@](CC)(O)CC5)(C)CC4)O3)[C@H](C)C1
InChI Key: YPZYGIQXBGHDBH-TVQIUTITSA-M
Can. SMILES: CC[C@H]([C@H]1CC[C@H](C)[C@]([H])([C@@H](C)[C@@H]([C@H](C)C(=O)[C@H](CC)[C@@H]2[C@@H](C)C[C@@H](C)[C@@]3(C=C[C@@H]([C@]4(CC[C@@](C)([C@H]5CC[C@](CC)([C@H](C)O5)O)O4)O3)O)O2)O)O1)C(=O)O[Na]
InChI: InChI=1S/C42H70O11.Na/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33;/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47);/q;+1/p-1/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32-,33+,34+,36+,37-,39-,40+,41-,42-;/m0./s1
External links:
Citation: https://www.nature.com/articles/s41429-022-00536-4#Sec2

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