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CHEBI:34858 - mupirocin calcium hydrate

ChEBI IDCHEBI:34858
ChEBI Namemupirocin calcium hydrate
Stars
DefinitionA hydrate that is the dihydrate form of mupirocin calcium. It is an antibacterial drug used for the treatment of skin infections such as impetigo caused by Staphylococcus aureus and meticillin-resistant Staphylococcus aureus (MRSA).
Last Modified17 January 2020
DownloadsMolfile
Formula2C26H43O9.Ca.2H2O
Net Charge0
Average Mass1075.350
Monoisotopic Mass1074.56514
SMILESO.O.[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
InChIInChI=1S/2C26H44O9.Ca.2H2O/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);;2*1H2/q;;+2;;/p-2/b2*16-13+;;;/t2*17-,18-,19-,20-,21-,24+,25-,26-;;;/m00.../s1
InChIKeyDDHVILIIHBIMQU-YJGQQKNPSA-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.
Applications:
antiinfective agent  A substance used in the prophylaxis or therapy of infectious diseases.
antibacterial drug  A drug used to treat or prevent bacterial infections.
ChEBI Ontology
Outgoing Relation(s)
mupirocin calcium hydrate (CHEBI:34858) has part mupirocin calcium (anhydrous) (CHEBI:145818)
mupirocin calcium hydrate (CHEBI:34858) has role antibacterial drug (CHEBI:36047)
mupirocin calcium hydrate (CHEBI:34858) has role antiinfective agent (CHEBI:35441)
mupirocin calcium hydrate (CHEBI:34858) has role protein synthesis inhibitor (CHEBI:48001)
mupirocin calcium hydrate (CHEBI:34858) is a hydrate (CHEBI:35505)
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]—water (1/2)
Synonyms  Source
mupirocin calcium hydrateChemIDplus
mupirocin calcium dihydrateKEGG DRUG
mupirocin calciumKEGG DRUG
BRL 4910FChemIDplus
BRL-4910FChemIDplus
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] dihydrateIUPAC
Brand Names  Source
BactrobanKEGG DRUG
TurixinChemIDplus
Manual XrefsDatabases
D02195KEGG DRUG
US2011015413Patent
DBSALT001049DrugBank
Registry NumbersSources
CAS:115074-43-6ChemIDplus
Citations