CHEBI:3314 - calcium glucoheptonate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name calcium glucoheptonate
ChEBI ID CHEBI:3314
Definition The calcium salt of (2ξ)-D-gluco-heptonic acid. It is used as a calcium supplement for treatment of hypocalcaemia.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C14H26CaO16
Net Charge 0
Average Mass 490.42500
Monoisotopic Mass 490.08468
InChI InChI=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
InChIKey FATUQANACHZLRT-KMRXSBRUSA-L
SMILES [Ca++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)C([O-])=O
ChEBI Ontology
Outgoing 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 Sources
calcii glucoheptonas ChemIDplus
calcium glucoheptonate KEGG DRUG
glucoheptonate de calcium ChemIDplus
glucoheptonato calcico ChemIDplus
Synonyms Sources
calcium (2ξ)-D-gluco-heptonate ChEBI
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 gluceptate KEGG DRUG
calcium glucoheptonate (1:2) ChemIDplus
Manual Xrefs Databases
D00934 KEGG DRUG
DB00326 DrugBank
View more database links
Registry Number Type Source
29039-00-7 CAS Registry Number ChemIDplus
Last Modified
27 April 2010