EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:201836 - Ionomycin Calcium Salt

ChEBI IDCHEBI:201836
ChEBI NameIonomycin Calcium Salt
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H70O9.Ca
Net Charge0
Average Mass747.080
Monoisotopic Mass746.46457
SMILESCC(CCC(=O)[O-])CC(C)CC(C)C(=O)C=C([O-])C(C)CC(C)CC=CC(C)C(O)C(C)C(O)CC1CCC(C)(C2CCC(C)(C(C)O)O2)O1.[Ca+2]
InChIInChI=1S/C41H72O9.Ca/c1-25(21-29(5)34(43)24-35(44)30(6)22-27(3)20-26(2)14-15-38(46)47)12-11-13-28(4)39(48)31(7)36(45)23-33-16-18-41(10,49-33)37-17-19-40(9,50-37)32(8)42;/h11,13,24-33,36-37,39,42-43,45,48H,12,14-23H2,1-10H3,(H,46,47);/q;+2/p-2
InChIKeyWKRWUYKLUMMAKG-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
Ionomycin Calcium Salt (CHEBI:201836) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
calcium;(4R,6S,8S,10Z,12R,14R,16E,18R,19R,20S,21S)-19,21-dihydroxy-22-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-4,6,8,12,14,18,20-heptamethyl-11-oxido-9-oxodocosa-10,16-dienoate
Manual XrefsDatabases
4949834ChemSpider