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CHEBI:754914 - calcium glubionate anhydrous

Default Structure
ChEBI IDCHEBI:754914
ChEBI Namecalcium glubionate anhydrous
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaCa.C12H21O12.C6H11O7
Net Charge0
Average Mass592.513
Monoisotopic Mass592.11637
SMILESO=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO.[Ca+2]
InChIInChI=1S/C12H22O12.C6H12O7.Ca/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12;7-1-2(8)3(9)4(10)5(11)6(12)13;/h3-10,12-20H,1-2H2,(H,21,22);2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t3-,4-,5+,6+,7-,8-,9-,10-,12+;2-,3-,4+,5-;/m11./s1
InChIKeyYPCRNBPOUVJVMU-LCGAVOCYSA-L
ChEBI Ontology
Outgoing Relation(s)
calcium glubionate anhydrous (CHEBI:754914) is a lipopolysaccharide (CHEBI:16412)