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CHEBI:755861 - calcium pangamate

Default Structure
ChEBI IDCHEBI:755861
ChEBI Namecalcium pangamate
Stars
Last Modified29 June 2026
Submitterchembl-etl
DownloadsMolfile
FormulaC10H18NO8.Ca.C10H18NO8
Net Charge0
Average Mass600.584
Monoisotopic Mass600.16907
SMILESCN(C)CC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].CN(C)CC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].[Ca+2]
InChIInChI=1S/2C10H19NO8.Ca/c2*1-11(2)3-6(13)19-4-5(12)7(14)8(15)9(16)10(17)18;/h2*5,7-9,12,14-16H,3-4H2,1-2H3,(H,17,18);/q;;+2/p-2/t2*5-,7-,8+,9-;/m11./s1
InChIKeyJWLAOERSRUNGEF-JQVJEGKNSA-L
ChEBI Ontology
Outgoing Relation(s)
calcium pangamate (CHEBI:755861) has functional parent tetracarboxylic acid (CHEBI:35742)
calcium pangamate (CHEBI:755861) is a organooxygen compound (CHEBI:36963)
Synonyms  Source
Calcium pangamateChEMBL
Pangamate calciumChEMBL
Pangamic acid, calcium saltChEMBL