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CHEBI:3314 - calcium glucoheptonate

Default Structure
ChEBI IDCHEBI:3314
ChEBI Namecalcium glucoheptonate
Stars
DefinitionThe calcium salt of (2ξ)-D-gluco-heptonic acid. It is used as a calcium supplement for treatment of hypocalcaemia.
Last Modified27 April 2010
DownloadsMolfile
Formula2C7H13O8.Ca
Net Charge0
Average Mass490.424
Monoisotopic Mass490.08468
SMILESO=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Ca+2]
InChIInChI=1S/2C7H14O8.Ca/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2/t2*2-,3-,4+,5-,6?;/m11./s1
InChIKeyFATUQANACHZLRT-KMRXSBRUSA-L
ChEBI Ontology
Outgoing Relation(s)
calcium glucoheptonate (CHEBI:3314) has part (2ξ)-D-gluco-heptonate (CHEBI:59200)
calcium glucoheptonate (CHEBI:3314) is a calcium salt (CHEBI:35156)
IUPAC Name 
calcium (2ξ)-D-gluco-heptonate (1:2)
INNs  Source
calcii glucoheptonasChemIDplus
calcium glucoheptonateKEGG DRUG
glucoheptonate de calciumChemIDplus
glucoheptonato calcicoChemIDplus
Synonyms  Source
calcium (2ξ)-D-gluco-heptonateChEBI
calcium bis[(2ξ)-D-glycero-D-gulo-heptonate]ChEBI
calcium bis[(2ξ)-D-glycero-D-ido-heptonate]ChEBI
calcium bis[(3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate]IUPAC
calcium gluceptateKEGG DRUG
calcium glucoheptonate (1:2)ChemIDplus
Manual XrefsDatabases
D00934KEGG DRUG
DB00326DrugBank
Registry NumbersSources
CAS:29039-00-7ChemIDplus