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CHEBI:60579 - calcium oxalate

ChEBI IDCHEBI:60579
ChEBI Namecalcium oxalate
Stars
DefinitionThe calcium salt of oxalic acid, which in excess in the urine may lead to formation of oxalate calculi (kidney stones).
Last Modified28 July 2014
SubmitterJane Lomax
DownloadsMolfile
FormulaC2O4.Ca
Net Charge0
Average Mass128.096
Monoisotopic Mass127.94225
SMILESO=C([O-])C(=O)[O-].[Ca+2]
InChIInChI=1S/C2H2O4.Ca/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2
InChIKeyQXDMQSPYEZFLGF-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
calcium oxalate (CHEBI:60579) has part oxalate(2−) (CHEBI:30623)
calcium oxalate (CHEBI:60579) is a organic calcium salt (CHEBI:51031)
IUPAC Name 
calcium oxalate
Manual XrefsDatabases
C17478KEGG COMPOUND
Registry NumbersSources
Reaxys:3915709Reaxys
CAS:563-72-4KEGG COMPOUND
CAS:563-72-4ChemIDplus