CALCIUM CITRATE
Relevant Data
Food Additives Approved by WHO:
General Information
| Mainterm | CALCIUM CITRATE |
| Doc Type | ASP |
| CAS Reg.No.(or other ID) | 813-94-5 |
| Regnum |
150.141 150.161 133.179 133.169 133.173 182.6195 184.1195 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 13136 |
| IUPAC Name | tricalcium;2-hydroxypropane-1,2,3-tricarboxylate |
| 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 |
| InChI Key | FNAQSUUGMSOBHW-UHFFFAOYSA-H |
| Canonical SMILES | C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Ca+2].[Ca+2].[Ca+2] |
| Molecular Formula | (C6H6O7)2Ca3·4H2O |
| Wikipedia | calcium citrate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 498.432 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 4 |
| Complexity | 211.0 |
| CACTVS Substructure Key Fingerprint | A A A D c c B w P A A A A A g A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A G g A A C A A A D E S A g A A A C A A A A g A I A A C Q C A I A A A A A A A A A A A F A A A A B A B Y A A A A A Q A A F I A A B A A D L J g A K A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 281.0 |
| Monoisotopic Mass | 497.895 |
| Exact Mass | 497.895 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 5 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Tricarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tricarboxylic acids and derivatives |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Tricarboxylic acid or derivatives - Tertiary alcohol - Carboxylic acid salt - Organic calcium salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. |
From ClassyFire
Targets
- General Function:
- Phosphatidylinositol phospholipase c activity
- Specific Function:
- Senses changes in the extracellular concentration of calcium ions. The activity of this receptor is mediated by a G-protein that activates a phosphatidylinositol-calcium second messenger system.
- Gene Name:
- CASR
- Uniprot ID:
- P41180
- Molecular Weight:
- 120672.385 Da
- General Function:
- Zinc ion binding
- Specific Function:
- Calcium-binding chaperone that promotes folding, oligomeric assembly and quality control in the endoplasmic reticulum (ER) via the calreticulin/calnexin cycle. This lectin interacts transiently with almost all of the monoglucosylated glycoproteins that are synthesized in the ER. Interacts with the DNA-binding domain of NR3C1 and mediates its nuclear export. Involved in maternal gene expression regulation. May participate in oocyte maturation via the regulation of calcium homeostasis (By similarity).
- Gene Name:
- CALR
- Uniprot ID:
- P27797
- Molecular Weight:
- 48141.2 Da
- General Function:
- Calcium-binding protein that plays a role in the regulation of numerous cellular processes, such as cell differentiation, cell division, cell proliferation, cell migration, thrombosis, angiogenesis, cardiac hypertrophy and apoptosis. Involved in bone marrow megakaryocyte differentiation by negatively regulating thrombopoietin-mediated signaling pathway. Participates in the endomitotic cell cycle of megakaryocyte, a form of mitosis in which both karyokinesis and cytokinesis are interrupted. Plays a role in integrin signaling by negatively regulating alpha-IIb/beta3 activation in thrombin-stimulated megakaryocytes preventing platelet aggregation. Up-regulates PTK2/FAK1 activity, and is also needed for the recruitment of PTK2/FAK1 to focal adhesions; it thus appears to play an important role in focal adhesion formation. Positively regulates cell migration on fibronectin in a CDC42-dependent manner, the effect being negatively regulated by PAK1. Functions as a negative regulator of stress activated MAP kinase (MAPK) signaling pathways. Down-regulates inositol 1,4,5-trisphosphate receptor-dependent calcium signaling. Involved in sphingosine kinase SPHK1 translocation to the plasma membrane in a N-myristoylation-dependent manner preventing TNF-alpha-induced apoptosis. Regulates serine/threonine-protein kinase PLK3 activity for proper completion of cell division progression. Plays a role in microtubule (MT) dynamics during neuronal development; disrupts the MT depolymerization activity of STMN2 attenuating NGF-induced neurite outgrowth and the MT reorganization at the edge of lamellipodia. Promotes cardiomyocyte hypertrophy via activation of the calcineurin/NFAT signaling pathway. Stimulates calcineurin PPP3R1 activity by mediating its anchoring to the sarcolemma. In ischemia-induced (pathological or adaptive) angiogenesis, stimulates endothelial cell proliferation, migration and microvessel formation by activating the PAK1 and ERK1/ERK2 signaling pathway. Promotes also cancer cell survival and proliferation. May regulate cell cycle and differentiation of spermatogenic germ cells, and/or differentiation of supporting Sertoli cells.
- Specific Function:
- Calcium ion binding
- Gene Name:
- CIB1
- Uniprot ID:
- Q99828
- Molecular Weight:
- 21703.07 Da
- General Function:
- Protein dimerization activity
- Specific Function:
- Calcium-binding protein required for T-cell receptor-, Fas-, and glucocorticoid-induced cell death. May mediate Ca(2+)-regulated signals along the death pathway (By similarity). Calcium-dependent adapter necessary for the association between PDCD6IP and TSG101. Interaction with DAPK1 can accelerate apoptotic cell death by increasing caspase-3 activity. May inhibit KDR/VEGFR2-dependent angiogenesis; the function involves inhibition of VEGF-induced phosphoprylation of the Akt signaling pathway. Seems to play a role in the regulation of the distribution and function of MCOLN1 in the endosomal pathway. Isoform 2 has a lower Ca(2+) affinity than isoform 1. Isoform 1 and, to a lesser extend, isoform 2, can stabilize SHISA5.
- Gene Name:
- PDCD6
- Uniprot ID:
- O75340
- Molecular Weight:
- 21868.32 Da
- General Function:
- Calcium-binding protein that modulates excitation-contraction coupling in the heart. Contributes to calcium homeostasis in the heart sarcoplasmic reticulum. Modulates the activity of RYR2 calcium channels.
- Specific Function:
- Calcium channel regulator activity
- Gene Name:
- SRI
- Uniprot ID:
- P30626
- Molecular Weight:
- 21676.245 Da
- General Function:
- Calcium-binding protein involved in different processes such as regulation of vesicular trafficking, plasma membrane Na(+)/H(+) exchanger and gene transcription. Involved in the constitutive exocytic membrane traffic. Mediates the association between microtubules and membrane-bound organelles of the endoplasmic reticulum and Golgi apparatus and is also required for the targeting and fusion of transcytotic vesicles (TCV) with the plasma membrane. Functions as an integral cofactor in cell pH regulation by controlling plasma membrane-type Na(+)/H(+) exchange activity. Affects the pH sensitivity of SLC9A1/NHE1 by increasing its sensitivity at acidic pH. Required for the stabilization and localization of SLC9A1/NHE1 at the plasma membrane. Inhibits serum- and GTPase-stimulated Na(+)/H(+) exchange. Plays a role as an inhibitor of ribosomal RNA transcription by repressing the nucleolar UBF1 transcriptional activity. May sequester UBF1 in the nucleoplasm and limit its translocation to the nucleolus. Associates to the ribosomal gene promoter. Acts as a negative regulator of the calcineurin/NFAT signaling pathway. Inhibits NFAT nuclear translocation and transcriptional activity by suppressing the calcium-dependent calcineurin phosphatase activity. Also negatively regulates the kinase activity of the apoptosis-induced kinase STK17B. Inhibits both STK17B auto- and substrate-phosphorylations in a calcium-dependent manner.
- Specific Function:
- Calcium ion binding
- Gene Name:
- CHP1
- Uniprot ID:
- Q99653
- Molecular Weight:
- 22455.96 Da
- General Function:
- Extracellular matrix binding
- Specific Function:
- Appears to regulate cell growth through interactions with the extracellular matrix and cytokines. Binds calcium and copper, several types of collagen, albumin, thrombospondin, PDGF and cell membranes. There are two calcium binding sites; an acidic domain that binds 5 to 8 Ca(2+) with a low affinity and an EF-hand loop that binds a Ca(2+) ion with a high affinity.
- Gene Name:
- SPARC
- Uniprot ID:
- P09486
- Molecular Weight:
- 34631.88 Da
- General Function:
- Poly(a) rna binding
- Specific Function:
- Calcium-binding protein that interacts with newly synthesized glycoproteins in the endoplasmic reticulum. It may act in assisting protein assembly and/or in the retention within the ER of unassembled protein subunits. It seems to play a major role in the quality control apparatus of the ER by the retention of incorrectly folded proteins. Associated with partial T-cell antigen receptor complexes that escape the ER of immature thymocytes, it may function as a signaling complex regulating thymocyte maturation. Additionally it may play a role in receptor-mediated endocytosis at the synapse.
- Gene Name:
- CANX
- Uniprot ID:
- P27824
- Molecular Weight:
- 67567.695 Da
- General Function:
- Fibrillin-2: Fibrillins are structural components of 10-12 nm extracellular calcium-binding microfibrils, which occur either in association with elastin or in elastin-free bundles. Fibrillin-2-containing microfibrils regulate the early process of elastic fiber assembly. Regulates osteoblast maturation by controlling TGF-beta bioavailability and calibrating TGF-beta and BMP levels, respectively.
- Specific Function:
- Calcium ion binding
- Gene Name:
- FBN2
- Uniprot ID:
- P35556
- Molecular Weight:
- 314772.155 Da
- General Function:
- Zinc ion binding
- Specific Function:
- Weakly binds calcium but binds zinc very tightly-distinct binding sites with different affinities exist for both ions on each monomer. Physiological concentrations of potassium ion antagonize the binding of both divalent cations, especially affecting high-affinity calcium-binding sites. Binds to and initiates the activation of STK38 by releasing autoinhibitory intramolecular interactions within the kinase. Interaction with AGER after myocardial infarction may play a role in myocyte apoptosis by activating ERK1/2 and p53/TP53 signaling. Could assist ATAD3A cytoplasmic processing, preventing aggregation and favoring mitochondrial localization. May mediate calcium-dependent regulation on many physiological processes by interacting with other proteins, such as TPR-containing proteins, and modulating their activity.
- Gene Name:
- S100B
- Uniprot ID:
- P04271
- Molecular Weight:
- 10712.985 Da
- General Function:
- Calsequestrin is a high-capacity, moderate affinity, calcium-binding protein and thus acts as an internal calcium store in muscle. Calcium ions are bound by clusters of acidic residues at the protein surface, especially at the interface between subunits. Can bind around 60 Ca(2+) ions. Regulates the release of lumenal Ca(2+) via the calcium release channel RYR2; this plays an important role in triggering muscle contraction. Plays a role in excitation-contraction coupling in the heart and in regulating the rate of heart beats.
- Specific Function:
- Calcium ion binding
- Gene Name:
- CASQ2
- Uniprot ID:
- O14958
- Molecular Weight:
- 46435.28 Da
- General Function:
- Zinc ion binding
- Specific Function:
- Gluconolactonase with low activity towards other sugar lactones, including gulonolactone and galactonolactone. Can also hydrolyze diisopropyl phosphorofluoridate and phenylacetate (in vitro). Calcium-binding protein. Modulates Ca(2+) signaling, and Ca(2+)-dependent cellular processes and enzyme activities (By similarity).
- Gene Name:
- RGN
- Uniprot ID:
- Q15493
- Molecular Weight:
- 33252.53 Da
- General Function:
- Calcium-binding protein that acts as an adapter that bridges unrelated proteins or stabilizes weak protein-protein complexes in response to calcium. Together with PDCD6, acts as calcium-dependent adapter for the BCR(KLHL12) complex, a complex involved in endoplasmic reticulum (ER)-Golgi transport by regulating the size of COPII coats (PubMed:27716508). In response to cytosolic calcium increase, the heterodimer formed with PDCD6 interacts with, and bridges together the BCR(KLHL12) complex and SEC31 (SEC31A or SEC31B), promoting monoubiquitination of SEC31 and subsequent collagen export, which is required for neural crest specification (PubMed:27716508). Its role in the heterodimer formed with PDCD6 is however unclear: some evidences show that PEF1 and PDCD6 work together and promote association between PDCD6 and SEC31 in presence of calcium (PubMed:27716508). Other reports show that PEF1 dissociates from PDCD6 in presence of calcium, and may act as a negative regulator of PDCD6 (PubMed:11278427). Also acts as a negative regulator of ER-Golgi transport; possibly by inhibiting interaction between PDCD6 and SEC31 (By similarity).
- Specific Function:
- Binding, bridging
- Gene Name:
- PEF1
- Uniprot ID:
- Q9UBV8
- Molecular Weight:
- 30380.755 Da
- General Function:
- Zinc ion binding
- Specific Function:
- May function as calcium sensor and modulator, contributing to cellular calcium signaling. May function by interacting with other proteins, such as TPR-containing proteins, and indirectly play a role in many physiological processes such as the reorganization of the actin cytoskeleton and in cell motility. Binds 2 calcium ions. Calcium binding is cooperative.
- Gene Name:
- S100A6
- Uniprot ID:
- P06703
- Molecular Weight:
- 10179.635 Da
- General Function:
- Involved in calcium binding and microtubule stabilization.
- Specific Function:
- Calcium ion binding
- Gene Name:
- TPT1
- Uniprot ID:
- P13693
- Molecular Weight:
- 19595.205 Da
- General Function:
- Calcium-binding protein critical for proper photoreceptor cell maintenance and function. Plays a role in intracellular calcium homeostasis by decreasing ATP-induced calcium release (PubMed:23023331, PubMed:26173970, PubMed:26426422). May be involved in the mechanotransduction process (By similarity).
- Specific Function:
- Calcium ion binding
- Gene Name:
- CIB2
- Uniprot ID:
- O75838
- Molecular Weight:
- 21643.38 Da
- General Function:
- Zinc ion binding
- Specific Function:
- Plays a role in the export of proteins that lack a signal peptide and are secreted by an alternative pathway. Binds two calcium ions per subunit. Binds one copper ion. Binding of one copper ion does not interfere with calcium binding. Required for the copper-dependent stress-induced export of IL1A and FGF1. The calcium-free protein binds to lipid vesicles containing phosphatidylserine, but not to vesicles containing phosphatidylcholine (By similarity).
- Gene Name:
- S100A13
- Uniprot ID:
- Q99584
- Molecular Weight:
- 11471.095 Da
- General Function:
- Calsequestrin is a high-capacity, moderate affinity, calcium-binding protein and thus acts as an internal calcium store in muscle. Calcium ions are bound by clusters of acidic residues at the protein surface, often at the interface between subunits. Can bind around 80 Ca(2+) ions. Regulates the release of lumenal Ca(2+) via the calcium release channel RYR1; this plays an important role in triggering muscle contraction.
- Specific Function:
- Calcium ion binding
- Gene Name:
- CASQ1
- Uniprot ID:
- P31415
- Molecular Weight:
- 45159.635 Da
- General Function:
- Major calcium-binding protein of the Golgi. May have a role in calcium homeostasis (By similarity).
- Specific Function:
- Calcium ion binding
- Gene Name:
- NUCB1
- Uniprot ID:
- Q02818
- Molecular Weight:
- 53878.96 Da
- General Function:
- Calcium-binding protein. May have a role in calcium homeostasis.
- Specific Function:
- Calcium ion binding
- Gene Name:
- NUCB2
- Uniprot ID:
- P80303
- Molecular Weight:
- 50195.385 Da
- General Function:
- Titin binding
- Specific Function:
- Calmodulin mediates the control of a large number of enzymes, ion channels, aquaporins and other proteins by Ca(2+). Among the enzymes to be stimulated by the calmodulin-Ca(2+) complex are a number of protein kinases and phosphatases. Together with CCP110 and centrin, is involved in a genetic pathway that regulates the centrosome cycle and progression through cytokinesis.
- Gene Name:
- CALM1
- Uniprot ID:
- P0DP23
- Molecular Weight:
- 16837.47 Da
- General Function:
- Fibrillin-3: Fibrillins are structural components of 10-12 nm extracellular calcium-binding microfibrils, which occur either in association with elastin or in elastin-free bundles. Fibrillin-containing microfibrils provide long-term force bearing structural support.
- Specific Function:
- Calcium ion binding
- Gene Name:
- FBN3
- Uniprot ID:
- Q75N90
- Molecular Weight:
- 300352.86 Da
- General Function:
- Calcium-binding protein that may play a role in the adhesion of neutrophils to fibronectin. May play a role in the formation of focal adhesions.
- Specific Function:
- Calcium ion binding
- Gene Name:
- GCA
- Uniprot ID:
- P28676
- Molecular Weight:
- 24009.85 Da
- General Function:
- Calcium-binding protein involved in exocytosis of vesicles filled with neurotransmitters and neuropeptides. Probably acts upstream of fusion in the biogenesis or maintenance of mature secretory vesicles. Regulates catecholamine loading of DCVs. May specifically mediate the Ca(2+)-dependent exocytosis of large dense-core vesicles (DCVs) and other dense-core vesicles by acting as a PtdIns(4,5)P2-binding protein that acts at prefusion step following ATP-dependent priming and participates in DCVs-membrane fusion. However, it may also participate in small clear synaptic vesicles (SVs) exocytosis and it is unclear whether its function is related to Ca(2+) triggering (By similarity).
- Specific Function:
- Lipid binding
- Gene Name:
- CADPS
- Uniprot ID:
- Q9ULU8
- Molecular Weight:
- 152785.36 Da
- General Function:
- Calmodulin mediates the control of a large number of enzymes, ion channels, aquaporins and other proteins through calcium-binding. Among the enzymes to be stimulated by the calmodulin-calcium complex are a number of protein kinases and phosphatases. Together with CCP110 and centrin, is involved in a genetic pathway that regulates the centrosome cycle and progression through cytokinesis (PubMed:16760425). Mediates calcium-dependent inactivation of CACNA1C (PubMed:26969752). Positively regulates calcium-activated potassium channel activity of KCNN2 (PubMed:27165696).
- Specific Function:
- Calcium channel inhibitor activity
- Gene Name:
- CALM2
- Uniprot ID:
- P0DP24
- Molecular Weight:
- 16837.47 Da
- General Function:
- Calmodulin mediates the control of a large number of enzymes, ion channels, aquaporins and other proteins through calcium-binding. Among the enzymes to be stimulated by the calmodulin-calcium complex are a number of protein kinases and phosphatases. Together with CCP110 and centrin, is involved in a genetic pathway that regulates the centrosome cycle and progression through cytokinesis.
- Specific Function:
- Calcium ion binding
- Gene Name:
- CALM3
- Uniprot ID:
- P0DP25
- Molecular Weight:
- 16837.47 Da
- General Function:
- Calcium-binding protein. Binds one calcium ion per monomer.
- Specific Function:
- Calcium ion binding
- Gene Name:
- S100A16
- Uniprot ID:
- Q96FQ6
- Molecular Weight:
- 11801.3 Da
- General Function:
- Calretinin is a calcium-binding protein which is abundant in auditory neurons.
- Specific Function:
- Calcium ion binding
- Gene Name:
- CALB2
- Uniprot ID:
- P22676
- Molecular Weight:
- 31539.62 Da
- General Function:
- Calcium-binding protein. May play a role in cellular signaling events (Potential).
- Specific Function:
- Calcium ion binding
- Gene Name:
- CAPS
- Uniprot ID:
- Q13938
- Molecular Weight:
- 20967.15 Da
- General Function:
- Calcium-binding protein involved in exocytosis of vesicles filled with neurotransmitters and neuropeptides. Probably acts upstream of fusion in the biogenesis or maintenance of mature secretory vesicles. Regulates neurotrophin release from granule cells leading to regulate cell differentiation and survival during cerebellar development. May specifically mediate the Ca(2+)-dependent exocytosis of large dense-core vesicles (DCVs) and other dense-core vesicles (By similarity).
- Specific Function:
- Lipid binding
- Gene Name:
- CADPS2
- Uniprot ID:
- Q86UW7
- Molecular Weight:
- 147733.365 Da
- General Function:
- During spermatogenesis, may act as a lectin-independent chaperone for specific client proteins such as ADAM3. Required for sperm fertility (By similarity). CALR3 capacity for calcium-binding may be absent or much lower than that of CALR.
- Specific Function:
- Calcium ion binding
- Gene Name:
- CALR3
- Uniprot ID:
- Q96L12
- Molecular Weight:
- 44995.345 Da
- General Function:
- Receptor activity
- Specific Function:
- Cell surface protein involved in cell-cell-interactions, exocytosis of secretory granules and regulation of signal transmission. Function is isoform-specific. Alpha-type isoforms have a long N-terminus with six laminin G-like domains and play an important role in synaptic signal transmission. Alpha-type isoforms play a role in the regulation of calcium channel activity and Ca(2+)-triggered neurotransmitter release at synapses and at neuromuscular junctions. They play an important role in Ca(2+)-triggered exocytosis of secretory granules in pituitary gland. They may effect their functions at synapses and in endocrine cells via their interactions with proteins from the exocytotic machinery. Likewise, alpha-type isoforms play a role in regulating the activity of postsynaptic NMDA receptors, a subtype of glutamate-gated ion channels. Both alpha-type and beta-type isoforms may play a role in the formation or maintenance of synaptic junctions via their calcium-dependent interactions (via the extracellular domains) with neuroligin family members, CBLN1 or CBLN2. In vitro, triggers the de novo formation of presynaptic structures. May be involved in specification of excitatory synapses. Alpha-type isoforms were first identified as receptors for alpha-latrotoxin from spider venom (By similarity).
- Gene Name:
- NRXN1
- Uniprot ID:
- Q9ULB1
- Molecular Weight:
- 161881.53 Da
- General Function:
- Voltage-gated calcium channel activity
- Specific Function:
- Neuronal calcium sensor, regulator of G protein-coupled receptor phosphorylation in a calcium dependent manner. Directly regulates GRK1 (RHOK), but not GRK2 to GRK5. Can substitute for calmodulin (By similarity). Stimulates PI4KB kinase activity (By similarity). Involved in long-term synaptic plasticity through its interaction with PICK1 (By similarity). May also play a role in neuron differentiation through inhibition of the activity of N-type voltage-gated calcium channel (By similarity).
- Gene Name:
- NCS1
- Uniprot ID:
- P62166
- Molecular Weight:
- 21878.565 Da
From T3DB