Tricalcium Dicitrate
fo-c7916b530ae16383
Identity
- Type
- Chemical salt
- CAS
- 813-94-5
- EC
- 212-391-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
18- 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, calcium salt (2:3)
- 2-hydroxy-1,2,3-propanetricarboxylic acid calcium salt (2:3)
- Acicontral
- Calcitrate
- calcium 2-hydroxy-1,2,3-propanetricarboxylate (3:2)
- calcium 2-hydroxypropane-1,2,3-tricarboxylate (3/2)
- calcium 2-hydroxypropane-1,2,3-tricarboxylate (3:2)
- Calcium citrate (Ca3(O7C6H5)2)
- calcium citrate tribasic
- calcium citrate, tribasic
- Citracal
- citric acid calcium salt (2:3)
- Citric acid, calcium salt (2:3)
- Citrical
- tribasic calcium citrate
- tricalcium bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
- tricalcium bis(citric acid)
- tricalcium citrate
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | FNAQSUUGMSOBHW-UHFFFAOYSA-H |
| InChI2D string chemrof:inchi2d_string | 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 |
| IUPAC name chemrof:IUPAC_name | Tricalcium Dicitrate |
| Molecular formula chemrof:molecular_formula | 2C6H5O7.3Ca, C12H10Ca3O14 |
| Molecular mass chemrof:molecular_mass | 498.432 |
| Monoisotopic mass chemrof:monoisotopic_mass | 497.894828, 497.89483 |
| SMILES string chemrof:smiles_string | 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] |
Known URLs
30Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=813-94-5 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:190513 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.028.822 | enrich_references.pubchem_identifier_url |
| ChemSpider | https://www.chemspider.com/Chemical-Structure.12584.html | enrich_references.chebi_xrefs |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7061148 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB11093 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB11093 | enrich_references.pubchem_identifier_url |
| drugcentral.org | https://drugcentral.org/drugcard/4479 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2106123 | enrich_references.pubchem_identifier_url |
| foodb.food | foodb.food:FDB013368 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/86117BWO7P | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0303432 | enrich_references.chebi_xrefs |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C1355 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL2106123 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/13136 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/27558620 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/27710434 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/29389571 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/29580478 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/30107042 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/30388775 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/31643038 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/32050854 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/32622256 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/34343801 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/34746580 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/35036734 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/47613 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q420280 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Calcium_citrate | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| da6103cb-7fae-454f-bdae-1d646dae653d | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| b23e3ad9-bb21-4a7d-a62a-bf9900b5b2f7 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 9913548a-10a4-4cd0-8f6f-23c54cf0f9f6 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 385f0547-c388-49c1-bcd7-0e7d3846bb95 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| f2fcfc16-2868-46a8-bba4-3abde447fd13 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 62c47541-f003-4cf6-957e-5d4361420575 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 3296835d-f9a9-4432-b35f-747f9fbd8480 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| e866e7a8-6b1f-4d46-909b-49befc996aba | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 97cd3443-9c16-4ede-9bef-f4be8a553072 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 759096a0-d000-40ab-b0f4-866530477d84 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| edf80a37-5ef7-422e-aa5f-09fb8519cbb6 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| a49d3e50-550f-4213-a76c-3d4fcb7c84bd | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| dbcee7c6-7661-4467-aa7b-4f31070ebee0 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works