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CHEBI:131391 - trimagnesium dicitrate

Default Structure
ChEBI IDCHEBI:131391
ChEBI Nametrimagnesium dicitrate
Stars
DefinitionA magnesium salt composed of magnesium and citrate ions in a 3:2 ratio.
Last Modified1 March 2016
SubmitterSteve
DownloadsMolfile
Formula2C6H5O7.3Mg
Net Charge0
Average Mass451.113
Monoisotopic Mass449.96218
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/2C6H8O7.3Mg/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6
InChIKeyPLSARIKBYIPYPF-UHFFFAOYSA-H
Wikipedia
Roles Classification
Application:
laxative  An agent that produces a soft formed stool, and relaxes and loosens the bowels, typically used over a protracted period, to relieve constipation. Compare with cathartic, which is a substance that accelerates defecation. A substances can be both a laxative and a cathartic.
ChEBI Ontology
Outgoing Relation(s)
trimagnesium dicitrate (CHEBI:131391) has part citrate(3−) (CHEBI:16947)
trimagnesium dicitrate (CHEBI:131391) has role laxative (CHEBI:50503)
trimagnesium dicitrate (CHEBI:131391) is a magnesium salt (CHEBI:33975)
IUPAC Name 
magnesium 2-hydroxypropane-1,2,3-tricarboxylate (3/2)
Synonyms  Source
Magnesium citrateChemIDplus
magnesium dicitrateChEBI
trimagnesium citrateChEBI
Manual XrefsDatabases
Magnesium_citrate_(3:2)Wikipedia
Registry NumbersSources
Reaxys:6674777Reaxys
CAS:3344-18-1ChemIDplus