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CHEBI:750445 - bacitracin zinc
| Formula | Zn.C66H101N17O16S |
| Net Charge | 0 |
| Average Mass | 1486.094 |
| Monoisotopic Mass | 1483.66243 |
| SMILES | [H][C@@]1([C@@H](C)CC)NC(=O)[C@@H](CCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSC([C@@H](N)[C@@H](C)CC)=N2)[C@@H](C)CC)CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](Cc2cncn2)NC(=O)[C@@H](Cc2ccccc2)NC1=O.[Zn+2] |
| InChI | InChI=1S/C66H103N17O16S.Zn/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90;/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88);/q;+2/p-2/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48-,52-,53-,54-;/m0./s1 |
| InChIKey | UCRLQOPRDMGYOA-DFTDUNEMSA-L |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Application: | anti-inflammatory agent Any compound that has anti-inflammatory effects. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bacitracin zinc (CHEBI:750445) has role anti-inflammatory agent (CHEBI:67079) |
| bacitracin zinc (CHEBI:750445) is a polypeptide (CHEBI:15841) |
| Synonyms | Source |
|---|---|
| Bacifarmin | ChEMBL |
| Bacitracins zinc complex | ChEMBL |
| Bacitracins, zinc complex | ChEMBL |
| Bacitracinum zincum | ChEMBL |
| Bacitracin zinc | ChEMBL |
| Noptracin | ChEMBL |
| Brand Names | Source |
|---|---|
| Bacitracin zinc component of cortisporin | ChEMBL |
| Bacitracin zinc component of lanabiotic | ChEMBL |
| Bacitracin zinc component of neo-polycin | ChEMBL |
| Bacitracin zinc component of ocumycin | ChEMBL |
| Bacitracin zinc component of polysporin | ChEMBL |
| Ziba-rx | ChEMBL |