EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C90H127N27O12 |
| Net Charge | 0 |
| Average Mass | 1779.183 |
| Monoisotopic Mass | 1778.01575 |
| SMILES | CC[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 |
| InChI | InChI=1S/C90H127N27O12/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)/t51-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-/m0/s1 |
| InChIKey | MVPAMLBUDIFYGK-BHDRXCTLSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Applications: | dermatologic drug A drug used to treat or prevent skin disorders or for the routine care of skin. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. antiinfective agent A substance used in the prophylaxis or therapy of infectious diseases. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| omiganan (CHEBI:749905) has role antiinfective agent (CHEBI:35441) |
| omiganan (CHEBI:749905) has role antineoplastic agent (CHEBI:35610) |
| omiganan (CHEBI:749905) has role dermatologic drug (CHEBI:50177) |
| omiganan (CHEBI:749905) is a polypeptide (CHEBI:15841) |
| INN | Source |
|---|---|
| omiganan | WHO MedNet |
| Citations |
|---|