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CHEBI:145818 - mupirocin calcium (anhydrous)
| Formula | 2C26H43O9.Ca |
| Net Charge | 0 |
| Average Mass | 1039.320 |
| Monoisotopic Mass | 1038.54401 |
| SMILES | [Ca+2].[H][C@@]1([C@@H](C)[C@H](C)O)O[C@@]1([H])C[C@H]1CO[C@@H](C/C(C)=C/C(=O)OCCCCCCCCC(=O)[O-])[C@H](O)[C@@H]1O.[H][C@@]1([C@@H](C)[C@H](C)O)O[C@@]1([H])C[C@H]1CO[C@@H](C/C(C)=C/C(=O)OCCCCCCCCC(=O)[O-])[C@H](O)[C@@H]1O |
| InChI | InChI=1S/2C26H44O9.Ca/c2*1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27;/h2*13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29);/q;;+2/p-2/b2*16-13+;/t2*17-,18-,19-,20-,21-,24+,25-,26-;/m00./s1 |
| InChIKey | HAXVBVDETFUQGV-LNQHITRNSA-L |
| Roles Classification |
|---|
| Biological Roles: | antibacterial drug A drug used to treat or prevent bacterial infections. protein synthesis inhibitor A compound, usually an anti-bacterial agent or a toxin, which inhibits the synthesis of a protein. |
| Application: | antibacterial drug A drug used to treat or prevent bacterial infections. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| mupirocin calcium (anhydrous) (CHEBI:145818) has part mupirocin(1−) (CHEBI:145790) |
| mupirocin calcium (anhydrous) (CHEBI:145818) has role antibacterial drug (CHEBI:36047) |
| mupirocin calcium (anhydrous) (CHEBI:145818) has role protein synthesis inhibitor (CHEBI:48001) |
| mupirocin calcium (anhydrous) (CHEBI:145818) is a organic calcium salt (CHEBI:51031) |
| Incoming Relation(s) |
| mupirocin calcium hydrate (CHEBI:34858) has part mupirocin calcium (anhydrous) (CHEBI:145818) |
| IUPAC Name |
|---|
| calcium bis[9-({(2E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)tetrahydro-2H-pyran-2-yl]-3-methylbut-2-enoyl}oxy)nonanoate] |
| Synonyms | Source |
|---|---|
| mupirocin calcium | ChemIDplus |
| mupirocin calcium anhydrous | ChemIDplus |
| calcium mupirocin | ChemIDplus |
| mupirocin calcium salt | ChEBI |
| Registry Numbers | Sources |
|---|---|
| CAS:104486-81-9 | ChemIDplus |