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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 |
|---|
| Biological Roles: | food preservative Substances which are added to food in order to prevent decomposition caused by microbial growth or by undesirable chemical changes. food additive Any substance which is added to food to preserve or enhance its flavour and/or appearance. flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| Applications: | 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 preservative Substances which are added to food in order to prevent decomposition caused by microbial growth or by undesirable chemical changes. food additive Any substance which is added to food to preserve or enhance its flavour and/or appearance. flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| 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 |
|---|---|
| tribasic calcium citrate | ChemIDplus |
| tricalcium bis(citric acid) | HMDB |
| 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 |
| Brand Names | Source |
|---|---|
| Acicontral | ChemIDplus |
| Calcitrate | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| FDB013368 | FooDB |
| Calcium_citrate | Wikipedia |
| HMDB0303432 | HMDB |
| DB11093 | DrugBank |
| 12584 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:813-94-5 | ChemIDplus |
| Citations |
|---|