more general categories    
information about this item 
 
 
03. Biological Effects of Specific Chemicals    
 
 
 
 
 
 
03. Biological Effects of Specific Chemicals  
 
 
 
 
 
 
 
 
 
 
 
  mersacidin [CHEBI:71658]   (1)  
 
 
 
 
 
 
 
  mersacidin [CHEBI:71658]   (1)  
 
 
 
 
08. Chemical Category    
 
 
 
 
 
 
08. Chemical Category  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  mersacidin [CHEBI:71658]   (1)  
 
 
 
 
 
 
 
 
 
 
 
  mersacidin [CHEBI:71658]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  mersacidin [CHEBI:71658]   (1)  
 
 
 
 
 
 
 
 
 
 
 
  mersacidin [CHEBI:71658]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  mersacidin [CHEBI:71658]   (1)  
 
 
 
 
 
 
 
 
 
 
 
  mersacidin [CHEBI:71658]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  mersacidin [CHEBI:71658]   (1)  
 
 
 
 
 
 
 
 
 
 
 
  mersacidin [CHEBI:71658]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  mersacidin [CHEBI:71658]   (1)  
 
 
 
 
 
 
 
 
 
 
 
  mersacidin [CHEBI:71658]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  mersacidin [CHEBI:71658]   (1)  
 
 
 
 
 
 
 
 
 
 
 
  mersacidin [CHEBI:71658]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  mersacidin [CHEBI:71658]   (1)  
 
 
 
 
 
 
 
 
 
 
 
  mersacidin [CHEBI:71658]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  mersacidin [CHEBI:71658]   (1)  
 
 
 
 
 
 
 
 
 
 
 
  mersacidin [CHEBI:71658]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  mersacidin [CHEBI:71658]   (1)  
 
 
 
 
 
 
 
 
 
 
 
  mersacidin [CHEBI:71658]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  mersacidin [CHEBI:71658]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  mersacidin [CHEBI:71658]   (1)  
 
 
 
 
ChEBI Compound Accession Identifier :  
 [CHEBI:71658] 
 
ChEBI Compound Description :  
 A type-B lantibiotic containing 3-methyllanthionine and S-(2-aminovinyl)-3-methylcysteine residues and four intra-chain thioether bridges. It is obtained from Bacillus sp. HIL Y-85,54728 and is active in vivo against methicillin-resistant Staphylococcus aureus (MRSA). 
 
ChEBI Compound Identification Number :  
 71658 
 
ChEBI InChI Value :  
 InChI=1S/C80H120N20O21S4/c1-14-40(8)61-74(115)82-24-26-122-42(10)62-76(117)87-41(9)66(107)88-48(22-23-59(105)106)68(109)92-52(71(112)95-61)35-124-44(12)64(78(119)89-49(27-37(2)3)69(110)97-62)99-72(113)53-36-125-45(13)65(98-70(111)50(29-46-19-16-15-17-20-46)90-77(118)63-43(11)123-34-47(81)67(108)96-63)79(120)91-51(28-38(4)5)80(121)100-25-18-21-54(100)73(114)86-32-57(103)84-30-55(101)83-31-56(102)85-33-58(104)94-60(39(6)7)75(116)93-53/h15-17,19-20,24,26,37-40,42-45,47-54,60-65H,9,14,18,21-23,25,27-36,81H2,1-8,10-13H3,(H,82,115)(H,83,101)(H,84,103)(H,85,102)(H,86,114)(H,87,117)(H,88,107)(H,89,119)(H,90,118)(H,91,120)(H,92,109)(H,93,116)(H,94,104)(H,95,112)(H,96,108)(H,97,110)(H,98,111)(H,99,113)(H,105,106)/b26-24+/t40-,42+,43+,44+,45+,47+,48+,49+,50+,51+,52+,53+,54+,60+,61+,62?,63-,64-,65-/m1/s1 
 
ChEBI InChIKey Value :  
 JSWKNDSDVHJUKY-CYGWNLPQSA-N 
 
ChEBI Compound Name :  
 mersacidin 
 
ChEBI SMILES Value :  
 [H][C@@]1(C)SC[C@@H]2NC(=O)[C@H](CCC(O)=O)NC(=O)C(=C)NC(=O)C(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1NC(=O)[C@@H]1CS[C@@H](C)[C@@]([H])(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@]3([H])NC(=O)[C@@H](N)CS[C@H]3C)C(=O)N[C@@]([H])(CC(C)C)C(=O)N3CCC[C@@]3([H])C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N1)[C@H](C)S\C=C\NC(=O)[C@@]([H])(NC2=O)[C@H](C)CC 
 
ChEBI Substance ID :  
 160713596 
 
ChEBI URL :  
 ChEBI:71658  
 
ChemSpider ID :  
 28533702 
 
Ontomatica Chemical Accession Key (OnChAKey) :  
 JSWKNDSDVHJUKY_CYGWNLPQSA_N_000_000000 
 
PubChem Compound ID :  
 70698380