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CHEBI:201544 - RK-682 calcium salt

ChEBI IDCHEBI:201544
ChEBI NameRK-682 calcium salt
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SubmitterMetaboLights
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Formula2C21H35O5.Ca
Net Charge0
Average Mass775.090
Monoisotopic Mass774.45949
SMILESCCCCCCCCCCCCCCCC(=O)C1=C([O-])C(CO)OC1=O.CCCCCCCCCCCCCCCC(=O)C1=C([O-])C(CO)OC1=O.[Ca+2]
InChIInChI=1S/2C21H36O5.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25;/h2*18,22,24H,2-16H2,1H3;/q;;+2/p-2
InChIKeyLNDPLBYJXMIJFP-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)
RK-682 calcium salt (CHEBI:201544) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
calcium;(2R)-4-hexadecanoyl-2-(hydroxymethyl)-5-oxo-2H-uran-3-olate
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