CHEBI:81717 - Calcium levulinate anhydrous

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name Calcium levulinate anhydrous ChEBI ID CHEBI:81717 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C5H7O3.C5H7O3.Ca Net Charge 0 Average Mass 270.294 Monoisotopic Mass 270.04163 InChI InChI=1S/2C5H8O3.Ca/c2*1-4(6)2-3-5(7)8;/h2*2-3H2,1H3,(H,7,8);/q;;+2/p-2 InChIKey APKDPOQXVKRLEP-UHFFFAOYSA-L SMILES [Ca++].CC(=O)CCC([O-])=O.CC(=O)CCC([O-])=O ChEBI Ontology Outgoing Calcium levulinate anhydrous (CHEBI:81717) is a organic molecular entity (CHEBI:50860) Manual Xref Database C18380 KEGG COMPOUND View more database links Registry Number Type Source 591-64-0 CAS Registry Number KEGG COMPOUND Last Modified 09 December 2022