EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:750195 - omiganan pentahydrochloride

Default Structure
ChEBI IDCHEBI:750195
ChEBI Nameomiganan pentahydrochloride
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaHCl.C90H127N27O12.HCl.HCl.HCl.HCl
Net Charge0
Average Mass1961.488
Monoisotopic Mass1957.89914
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O.Cl.Cl.Cl.Cl.Cl
InChIInChI=1S/C90H127N27O12.5ClH/c1-5-51(4)75(92)85(127)113-68(41-50(2)3)80(122)109-67(32-18-38-102-90(98)99)79(121)114-71(44-54-48-105-62-27-12-8-23-58(54)62)86(128)116-39-19-34-74(116)84(126)112-70(43-53-47-104-61-26-11-7-22-57(53)61)82(124)115-72(45-55-49-106-63-28-13-9-24-59(55)63)87(129)117-40-20-33-73(117)83(125)111-69(42-52-46-103-60-25-10-6-21-56(52)60)81(123)110-66(31-17-37-101-89(96)97)78(120)108-65(30-16-36-100-88(94)95)77(119)107-64(76(93)118)29-14-15-35-91;;;;;/h6-13,21-28,46-51,64-75,103-106H,5,14-20,29-45,91-92H2,1-4H3,(H2,93,118)(H,107,119)(H,108,120)(H,109,122)(H,110,123)(H,111,125)(H,112,126)(H,113,127)(H,114,121)(H,115,124)(H4,94,95,100)(H4,96,97,101)(H4,98,99,102);5*1H/t51-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-;;;;;/m0...../s1
InChIKeyWTNSIKUBZJCPLJ-IQOWARLESA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
omiganan pentahydrochloride (CHEBI:750195) is a polypeptide (CHEBI:15841)
Synonym  Source
Omiganan pentahydrochlorideChEMBL
Citations