CHEBI:201762 - Mupirocin Lithium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Mupirocin Lithium
ChEBI ID CHEBI:201762
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H43O9.Li
Net Charge 0
Average Mass 506.560
Monoisotopic Mass 506.30671
InChI InChI=1S/C26H44O9.Li/c1-16(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;/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29);/q;+1/p-1
InChIKey XFIKMPRBSORKQP-UHFFFAOYSA-M
SMILES O=C(OCCCCCCCCC(=O)[O-])C=C(CC1OCC(CC2OC2C(C(O)C)C)C(C1O)O)C.[Li+]
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Mupirocin Lithium (CHEBI:201762) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name
lithium;9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoate
Manual Xrefs Databases
34998038 ChemSpider
D70855 KEGG DRUG
View more database links