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CHEBI:81717 - Calcium levulinate anhydrous

Default Structure
ChEBI IDCHEBI:81717
ChEBI NameCalcium levulinate anhydrous
Stars
Last Modified9 December 2022
DownloadsMolfile
Formula2C5H7O3.Ca
Net Charge0
Average Mass270.294
Monoisotopic Mass270.04163
SMILESCC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-].[Ca+2]
InChIInChI=1S/2C5H8O3.Ca/c2*1-4(6)2-3-5(7)8;/h2*2-3H2,1H3,(H,7,8);/q;;+2/p-2
InChIKeyAPKDPOQXVKRLEP-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
Calcium levulinate anhydrous (CHEBI:81717) is a organic molecular entity (CHEBI:50860)
Manual XrefsDatabases
C18380KEGG COMPOUND
Registry NumbersSources
CAS:591-64-0KEGG COMPOUND