Compound ID | 3526

Update compound information

Lysocin E

Class: Lipopeptide

Spectrum of activity: Gram-positive
Details of activity: Active against Staphylococcus aureus including methicillin-resistant strains and Listeria monocytogenes; membrane-active agent (potentially targets menaquinone biosynthesis)
Description: Natural product from Lysobacter sp.; cyclic lipopeptide; shows only 1% haemolytic activity towards red blood cells at 25~100x MIC
Year first mentioned: 2014
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1617.85
Iso. SMILES: CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N([C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1)CC2=CNC3=CC=CC=C32)CCC(=O)N)CCC(=O)O)CCCN=C(N)N)CC(C)C)CC4=CC=CC=C4)C)CO)CCCN=C(N)N)NC(=O)C[C@@H](CC(C)C)O)C)[C@@H](C)O
InChI Key: QJPVBLGWZKAQRW-BQBICWQZSA-N
Can. SMILES: CC[C@H](C)[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)O[C@H](C)[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@H](CC3=CNC4=C3C=CC=C4)C(=O)N1)NC(=O)C[C@@H](CC(C)C)O
InChI: InChI=1S/C75H116N20O20/c1-10-40(6)60-71(112)94-61(41(7)97)73(114)115-42(8)62(92-57(100)34-45(98)30-38(2)3)72(113)88-49(23-17-29-82-75(79)80)65(106)91-54(37-96)63(104)84-36-58(101)95(9)55(32-43-18-12-11-13-19-43)70(111)90-52(31-39(4)5)68(109)85-48(22-16-28-81-74(77)78)64(105)87-51(25-27-59(102)103)66(107)86-50(24-26-56(76)99)67(108)89-53(69(110)93-60)33-44-35-83-47-21-15-14-20-46(44)47/h11-15,18-21,35,38-42,45,48-55,60-62,83,96-98H,10,16-17,22-34,36-37H2,1-9H3,(H2,76,99)(H,84,104)(H,85,109)(H,86,107)(H,87,105)(H,88,113)(H,89,108)(H,90,111)(H,91,106)(H,92,100)(H,93,110)(H,94,112)(H,102,103)(H4,77,78,81)(H4,79,80,82)/t40-,41+,42+,45+,48+,49+,50+,51-,52-,53+,54-,55+,60-,61-,62-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/53373747
Citation: https://www.nature.com/articles/nchembio.1710

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