CHEBI:145818 - mupirocin calcium (anhydrous)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name mupirocin calcium (anhydrous)
ChEBI ID CHEBI:145818
Definition The anhydrous form of the calcium salt of mupirocin. The dihydrate form is used as an antibacterial drug for the treatment of skin infections.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C26H43O9.C26H43O9.Ca
Net Charge 0
Average Mass 1039.320
Monoisotopic Mass 1038.54401
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
SMILES [Ca++].[H][C@@]1(C[C@H]2CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]2O)O[C@@]1([H])[C@@H](C)[C@H](C)O.[H][C@@]1(C[C@H]2CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]2O)O[C@@]1([H])[C@@H](C)[C@H](C)O
Roles Classification
Biological Role(s): 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(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
calcium mupirocin ChemIDplus
mupirocin calcium ChemIDplus
mupirocin calcium anhydrous ChemIDplus
mupirocin calcium salt ChEBI
Registry Number Type Source
104486-81-9 CAS Registry Number ChemIDplus
Last Modified
12 February 2024