EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:52869 - magnesium green(5−)

ChEBI IDCHEBI:52869
ChEBI Namemagnesium green(5−)
Stars
ASCII Namemagnesium green(5-)
Last Modified29 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC33H17Cl2N2O13
Net Charge-5
Average Mass720.406
Monoisotopic Mass719.01351
SMILESO=C([O-])COc1cc(NC(=O)c2ccc3c(c2)C(=O)OC32c3cc(Cl)c([O-])cc3Oc3cc([O-])c(Cl)cc32)ccc1N(CC(=O)[O-])CC(=O)[O-]
InChIInChI=1S/C33H22Cl2N2O13/c34-20-7-18-25(9-23(20)38)49-26-10-24(39)21(35)8-19(26)33(18)17-3-1-14(5-16(17)32(47)50-33)31(46)36-15-2-4-22(27(6-15)48-13-30(44)45)37(11-28(40)41)12-29(42)43/h1-10,38-39H,11-13H2,(H,36,46)(H,40,41)(H,42,43)(H,44,45)/p-5
InChIKeyUMJJHLJWFYINGG-UHFFFAOYSA-I
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
magnesium green(5−) (CHEBI:52869) has functional parent fluorescein (lactone form) (CHEBI:31624)
magnesium green(5−) (CHEBI:52869) has role fluorochrome (CHEBI:51217)
magnesium green(5−) (CHEBI:52869) is a tricarboxylic acid anion (CHEBI:35753)
IUPAC Name 
2,2'-{[2-(carboxylatomethoxy)-4-{[(2',7'-dichloro-3',6'-dioxido-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)carbonyl]amino}phenyl]imino}diacetate
Synonym  Source
magnesium green anionChEBI