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CHEBI:190513 - calcium citrate
| Formula | 2C6H5O7.3Ca |
| Net Charge | 0 |
| Average Mass | 498.432 |
| Monoisotopic Mass | 497.89483 |
| SMILES | O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Ca+2].[Ca+2].[Ca+2] |
| InChI | InChI=1S/2C6H8O7.3Ca/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6 |
| InChIKey | FNAQSUUGMSOBHW-UHFFFAOYSA-H |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Roles: | flavouring agent A food additive that is used to added improve the taste or odour of a food. food additive Any substance which is added to food to preserve or enhance its flavour and/or appearance. food preservative Substances which are added to food in order to prevent decomposition caused by microbial growth or by undesirable chemical changes. |
| Biological Roles: | flavouring agent A food additive that is used to added improve the taste or odour of a food. food additive Any substance which is added to food to preserve or enhance its flavour and/or appearance. food preservative Substances which are added to food in order to prevent decomposition caused by microbial growth or by undesirable chemical changes. |
| Applications: | flavouring agent A food additive that is used to added improve the taste or odour of a food. nutraceutical A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance. food additive Any substance which is added to food to preserve or enhance its flavour and/or appearance. food preservative Substances which are added to food in order to prevent decomposition caused by microbial growth or by undesirable chemical changes. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| calcium citrate (CHEBI:190513) has part citrate(3−) (CHEBI:16947) |
| calcium citrate (CHEBI:190513) has role flavouring agent (CHEBI:35617) |
| calcium citrate (CHEBI:190513) has role food additive (CHEBI:64047) |
| calcium citrate (CHEBI:190513) has role food preservative (CHEBI:65255) |
| calcium citrate (CHEBI:190513) has role nutraceutical (CHEBI:50733) |
| calcium citrate (CHEBI:190513) is a organic calcium salt (CHEBI:51031) |
| IUPAC Names |
|---|
| calcium 2-hydroxypropane-1,2,3-tricarboxylate (3/2) |
| calcium 2-hydroxypropane-1,2,3-tricarboxylate (3:2) |
| Synonyms | Source |
|---|---|
| 2-hydroxy-1,2,3-propanetricarboxylic acid calcium salt (2:3) | ChemIDplus |
| calcium 2-hydroxy-1,2,3-propanetricarboxylate (3:2) | ChemIDplus |
| calcium citrate tribasic | ChEBI |
| calcium citrate, tribasic | ChemIDplus |
| citric acid calcium salt (2:3) | ChemIDplus |
| tribasic calcium citrate | ChemIDplus |
| Brand Names | Source |
|---|---|
| Acicontral | ChemIDplus |
| Calcitrate | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| 12584 | ChemSpider |
| Calcium_citrate | Wikipedia |
| DB11093 | DrugBank |
| FDB013368 | FooDB |
| HMDB0303432 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:813-94-5 | ChemIDplus |
| Citations |
|---|