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CHEBI:752056 - calcium levulinate

Default Structure
ChEBI IDCHEBI:752056
ChEBI Namecalcium levulinate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC5H7O3.C5H7O3.Ca.H2O
Net Charge0
Average Mass288.309
Monoisotopic Mass288.05219
SMILESCC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-].O.[Ca+2]
InChIInChI=1S/2C5H8O3.Ca.H2O/c2*1-4(6)2-3-5(7)8;;/h2*2-3H2,1H3,(H,7,8);;1H2/q;;+2;/p-2
InChIKeyVPHDLUWYYKTYFR-UHFFFAOYSA-L
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
calcium levulinate (CHEBI:752056) is a oxo carboxylic acid (CHEBI:25754)
Synonyms  Source
Calcium laevulateChEMBL
Calcium laevulinateChEMBL
Calcium levulinate anhydrousChEMBL
Calcium levulinate dihydrateChEMBL