| Record Information |
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| Version | 5.0 |
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| Status | Detected and Quantified |
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| Creation Date | 2006-08-15 17:25:35 UTC |
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| Update Date | 2022-03-07 02:49:02 UTC |
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| HMDB ID | HMDB0000464 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Calcium |
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| Description | Calcium is essential for the normal growth and maintenance of bones and teeth, and calcium requirements must be met throughout life. Requirements are greatest during periods of growth, such as childhood, during pregnancy and when breast-feeding. Long-term calcium deficiency can lead to osteoporosis, in which the bone deteriorates and there is an increased risk of fractures. Adults need between 1,000 and 1,300 mg of calcium in their daily diet. Calcium is essential for living organisms, particularly in cell physiology, and is the most common metal in many animals. Physiologically, it exists as an ion in the body. Calcium combines with phosphorus to form calcium phosphate in the bones and teeth. It is essential for the normal functioning of nerves and muscles and plays a role in blood coagulation (as factor IV) and in many enzymatic processes. Calcium is an important component of a healthy diet. A deficit can affect bone and tooth formation, while overretention can cause kidney stones. Vitamin D is needed to absorb calcium. Dairy products, such as milk and cheese, are a well-known source of calcium. However, some individuals are allergic to dairy products and even more people, particularly those of non-European descent, are lactose-intolerant, leaving them unable to consume dairy products. Fortunately, many other good sources of calcium exist. These include: seaweeds such as kelp, wakame and hijiki; nuts and seeds (like almonds and sesame); beans; amaranth; collard greens; okra; rutabaga; broccoli; kale; and fortified products such as orange juice and soy milk. Calcium has also been found to assist in the production of lymphatic fluids. Furthermore, calcium is found to be associated with primary hypomagnesemia, which is an inborn error of metabolism. |
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| Structure | |
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| Synonyms | | Value | Source |
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| Ca(2+) | ChEBI | | Ca2+ | ChEBI | | CALCIUM ion | ChEBI | | Calcium, doubly charged positive ion | ChEBI | | Calcium(2+) | Kegg | | Ca | HMDB | | Calcium element | HMDB |
|
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| Chemical Formula | Ca |
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| Average Molecular Weight | 40.078 |
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| Monoisotopic Molecular Weight | 39.962591155 |
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| IUPAC Name | calcium(2+) ion |
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| Traditional Name | calcium(2+) ion |
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| CAS Registry Number | 7440-70-2 |
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| SMILES | [Ca++] |
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| InChI Identifier | InChI=1S/Ca/q+2 |
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| InChI Key | BHPQYMZQTOCNFJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of inorganic compounds known as homogeneous alkaline earth metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a alkaline earth metal atom. |
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| Kingdom | Inorganic compounds |
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| Super Class | Homogeneous metal compounds |
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| Class | Homogeneous alkaline earth metal compounds |
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| Sub Class | Not Available |
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| Direct Parent | Homogeneous alkaline earth metal compounds |
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| Alternative Parents | Not Available |
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| Substituents | - Homogeneous alkaline earth metal
|
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| Molecular Framework | Not Available |
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| External Descriptors | |
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| Ontology |
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| Physiological effect | |
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| Disposition | Biological locationRoute of exposureSourceExogenous- Exogenous (HMDB: HMDB0000464)
Food- Food (HMDB: HMDB0000464)
Animal originHerb and spiceVegetableFruitNutCereal and cereal productPulseGourdCoffee and coffee productSoyTeaBaking goodDishBeverageAquatic originEggConfectioneryMilk and milk productOther milk productFermented milkFermented milk productUnfermented milk- Milk (Other mammals) (FooDB: FOOD00690)
- Milk (Human) (FooDB: FOOD00666)
- Milk (Cow) (FooDB: FOOD00618)
- Cow milk, pasteurized, vitamin A + D added, 0% fat (FooDB: FOOD00889)
- Cow milk, pasteurized, vitamin A + D added, 1% fat (FooDB: FOOD00890)
- Cow milk, pasteurized, vitamin A + D added, 2% fat (FooDB: FOOD00891)
- Cow milk, pasteurized, vitamin D added, 3.25% fat (FooDB: FOOD00892)
Fat and oilCocoa and cocoa productBaby foodUnclassified food or beverageSnack
Endogenous |
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| Process | Naturally occurring processBiological processBiochemical pathwayDisease pathway- Hypophosphatasia (HMDB: HMDB0000464)
- Wolman Disease (HMDB: HMDB0000464)
- Sucrase-Isomaltase Deficiency (HMDB: HMDB0000464)
- Folate Malabsorption, Hereditary (HMDB: HMDB0000464)
- GABA-Transaminase Deficiency (PathBank: SMP0120478)
- Histidinemia (PathBank: SMP0120493)
- Leukotriene C4 Synthesis Deficiency (PathBank: SMP0120510)
- 17-beta Hydroxysteroid Dehydrogenase III Deficiency (PathBank: SMP0120437)
- Methylenetetrahydrofolate Reductase Deficiency (MTHFRD) (PathBank: SMP0120522)
- Xanthinuria Type II (PathBank: SMP0120578)
- Glycogenosis, Type III. Cori Disease, Debrancher Glycogenosis (PathBank: SMP0120617)
- Argininemia (PathBank: SMP0120676)
- Argininosuccinic Aciduria (PathBank: SMP0120677)
- Beta-Ureidopropionase Deficiency (PathBank: SMP0120678)
- Carbamoyl Phosphate Synthetase Deficiency (PathBank: SMP0120682)
- Globoid Cell Leukodystrophy (PathBank: SMP0120702)
- Gout or Kelley-Seegmiller Syndrome (PathBank: SMP0120709)
- Xanthine Dehydrogenase Deficiency (Xanthinuria) (PathBank: SMP0120717)
- Tyrosinemia Type 3 (TYRO3) (PathBank: SMP0120731)
- Metachromatic Leukodystrophy (MLD) (PathBank: SMP0120738)
- Ornithine Transcarbamylase Deficiency (OTC Deficiency) (PathBank: SMP0120762)
- Tyrosinemia, Transient, of the Newborn (PathBank: SMP0120779)
- Mitochondrial DNA Depletion Syndrome (PathBank: SMP0120820)
- Mucopolysaccharidosis VII. Sly Syndrome (PathBank: SMP0120839)
- Aromatase Deficiency (PathBank: SMP0120848)
- Glycogen Synthetase Deficiency (PathBank: SMP0120835)
- UMP Synthase Deficiency (Orotic Aciduria) (PathBank: SMP0120507)
- Tyrosinemia Type 2 (or Richner-Hanhart Syndrome) (PathBank: SMP0120513)
- Phenylketonuria (PathBank: SMP0120540)
- Carnosinuria, Carnosinemia (PathBank: SMP0120558)
- Adenylosuccinate Lyase Deficiency (PathBank: SMP0120670)
- AICA-Ribosiduria (PathBank: SMP0120673)
- Hawkinsinuria (PathBank: SMP0120711)
- Tyrosinemia Type I (PathBank: SMP0120729)
- Purine Nucleoside Phosphorylase Deficiency (PathBank: SMP0120756)
- Krabbe Disease (PathBank: SMP0120810)
- Adenine Phosphoribosyltransferase Deficiency (APRT) (PathBank: SMP0120819)
- Myoadenylate Deaminase Deficiency (PathBank: SMP0120821)
- Glycogenosis, Type VI. Hers Disease (PathBank: SMP0120838)
- Joubert Syndrome (PathBank: SMP0120865)
- Dihydropyrimidinase Deficiency (PathBank: SMP0120693)
- Gaucher Disease (PathBank: SMP0120701)
- Lesch-Nyhan Syndrome (LNS) (PathBank: SMP0120728)
- Adenosine Deaminase Deficiency (PathBank: SMP0120448)
- Alkaptonuria (PathBank: SMP0120453)
- Citrullinemia Type I (PathBank: SMP0120466)
- Dopamine beta-Hydroxylase Deficiency (PathBank: SMP0120563)
- Congenital Disorder of Glycosylation CDG-IId (PathBank: SMP0120643)
- Molybdenum Cofactor Deficiency (PathBank: SMP0120752)
- Fabry Disease (PathBank: SMP0120809)
- Monoamine Oxidase-A Deficiency (MAO-A) (PathBank: SMP0120817)
- Glycogenosis, Type IV. Amylopectinosis, Anderson Disease (PathBank: SMP0120837)
- MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy) (PathBank: SMP0120530)
- Xanthinuria Type I (PathBank: SMP0120577)
- GLUT-1 Deficiency Syndrome (PathBank: SMP0120644)
- Folate Malabsorption, Hereditary (PathBank: SMP0120656)
- Mitochondrial DNA Depletion Syndrome (PathBank: SMP0000536)
Drug action pathwayProtein pathwaySignaling pathwayPhysiological pathwayMetabolic pathway- Pantothenate and CoA Biosynthesis (HMDB: HMDB0000464)
- Urea Cycle (PathBank: SMP0087224)
- Folate Metabolism (PathBank: SMP0000801)
- Sphingolipid Metabolism (PathBank: SMP0002378)
- Histidine Metabolism (PathBank: SMP0063632)
- Lactose Synthesis (PathBank: SMP0063634)
- Phosphatidylinositol Phosphate Metabolism (PathBank: SMP0063651)
- Phospholipid Biosynthesis (PathBank: SMP0063652)
- Sphingolipid Metabolism (PathBank: SMP0063667)
- Phosphatidylethanolamine Biosynthesis PE(16:0/18:2(9Z,12Z)) (PathBank: SMP0071724)
- Phosphatidylethanolamine Biosynthesis PE(16:0/20:0) (PathBank: SMP0071727)
- Phosphatidylethanolamine Biosynthesis PE(16:0/22:0) (PathBank: SMP0071730)
- Phosphatidylethanolamine Biosynthesis PE(18:0/20:1(11Z)) (PathBank: SMP0071739)
- Phosphatidylethanolamine Biosynthesis PE(18:0/22:0) (PathBank: SMP0071741)
- Phosphatidylethanolamine Biosynthesis PE(18:1(9Z)/18:1(9Z)) (PathBank: SMP0071743)
- Phosphatidylethanolamine Biosynthesis PE(18:2(9Z,12Z)/22:1(13Z)) (PathBank: SMP0071769)
- Phosphatidylethanolamine Biosynthesis PE(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)) (PathBank: SMP0071771)
- Phosphatidylethanolamine Biosynthesis PE(18:3(6Z,9Z,12Z)/20:0) (PathBank: SMP0071772)
- Phosphatidylethanolamine Biosynthesis PE(20:1(11Z)/20:1(11Z)) (PathBank: SMP0071788)
- Phosphatidylethanolamine Biosynthesis PE(20:1(11Z)/22:1(13Z)) (PathBank: SMP0071791)
- Alpha Linolenic Acid and Linoleic Acid Metabolism (PathBank: SMP0087171)
- Beta-Alanine metabolism (PathBank: SMP0087180)
- Thyroid hormone synthesis (PathBank: SMP0087269)
- Tyrosine Metabolism (PathBank: SMP0087328)
- Pyrimidine Metabolism (PathBank: SMP0087340)
- Malate-Aspartate Shuttle (PathBank: SMP0087438)
- Glycerol Metabolism II (PathBank: SMP0121310)
- Glycerol Metabolism III (sn-Glycero-3-Phosphoethanolamine) (PathBank: SMP0121311)
- Glycerol Metabolism IV (Glycerophosphoglycerol) (PathBank: SMP0121312)
- Peptidoglycan Biosynthesis II (PathBank: SMP0122239)
- Pantothenate and CoA Biosynthesis (PathBank: SMP0087207)
- Inositol Metabolism (PathBank: SMP0087242)
- Inositol Metabolism (PathBank: SMP0002397)
- Riboflavin Metabolism (PathBank: SMP0063663)
- Purine Metabolism (PathBank: SMP0063668)
- Starch and Sucrose Metabolism (PathBank: SMP0063673)
- Thyroid hormone synthesis (PathBank: SMP0063679)
- Phosphatidylethanolamine Biosynthesis PE(16:0/18:0) (PathBank: SMP0071721)
- Phosphatidylethanolamine Biosynthesis PE(16:0/18:3(6Z,9Z,12Z)) (PathBank: SMP0071725)
- Phosphatidylethanolamine Biosynthesis PE(16:0/20:1(11Z)) (PathBank: SMP0071728)
- Phosphatidylethanolamine Biosynthesis PE(18:0/18:0) (PathBank: SMP0071732)
- Phosphatidylethanolamine Biosynthesis PE(18:0/18:3(6Z,9Z,12Z)) (PathBank: SMP0071736)
- Phosphatidylethanolamine Biosynthesis PE(18:1(9Z)/18:3(6Z,9Z,12Z)) (PathBank: SMP0071746)
- Phosphatidylethanolamine Biosynthesis PE(18:1(9Z)/20:1(11Z)) (PathBank: SMP0071749)
- Phosphatidylethanolamine Biosynthesis PE(18:1(9Z)/22:1(13Z)) (PathBank: SMP0071752)
- Phosphatidylethanolamine Biosynthesis PE(18:1(11Z)/18:2(9Z,12Z)) (PathBank: SMP0071754)
- Phosphatidylethanolamine Biosynthesis PE(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)) (PathBank: SMP0071764)
- Phosphatidylethanolamine Biosynthesis PE(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) (PathBank: SMP0071770)
- Phosphatidylethanolamine Biosynthesis PE(18:3(6Z,9Z,12Z)/20:1(11Z)) (PathBank: SMP0071773)
- Phosphatidylethanolamine Biosynthesis PE(18:3(6Z,9Z,12Z)/22:1(13Z)) (PathBank: SMP0071776)
- Phosphatidylethanolamine Biosynthesis PE(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) (PathBank: SMP0071777)
- Phosphatidylethanolamine Biosynthesis PE(20:0/22:1(13Z)) (PathBank: SMP0071787)
- Phosphatidylethanolamine Biosynthesis PE(22:0/22:0) (PathBank: SMP0071795)
- Phenylalanine and Tyrosine Metabolism (PathBank: SMP0087313)
- Arachidonic Acid Metabolism (PathBank: SMP0087315)
- Peptidoglycan Biosynthesis I (PathBank: SMP0121305)
- Androgen and Estrogen Metabolism (PathBank: SMP0087251)
- Starch and Sucrose Metabolism (PathBank: SMP0002380)
- Phosphatidylethanolamine Biosynthesis PE(16:0/16:0) (PathBank: SMP0071720)
- Phosphatidylethanolamine Biosynthesis PE(16:0/18:1(11Z)) (PathBank: SMP0071723)
- Phosphatidylethanolamine Biosynthesis PE(16:0/22:1(13Z)) (PathBank: SMP0071731)
- Phosphatidylethanolamine Biosynthesis PE(18:0/18:1(9Z)) (PathBank: SMP0071733)
- Phosphatidylethanolamine Biosynthesis PE(18:0/18:1(11Z)) (PathBank: SMP0071734)
- Phosphatidylethanolamine Biosynthesis PE(18:0/18:2(9Z,12Z)) (PathBank: SMP0071735)
- Phosphatidylethanolamine Biosynthesis PE(18:0/20:0) (PathBank: SMP0071738)
- Phosphatidylethanolamine Biosynthesis PE(18:1(9Z)/20:0) (PathBank: SMP0071748)
- Phosphatidylethanolamine Biosynthesis PE(18:1(9Z)/22:0) (PathBank: SMP0071751)
- Phosphatidylethanolamine Biosynthesis PE(18:1(11Z)/18:3(9Z,12Z,15Z)) (PathBank: SMP0071756)
- Phosphatidylethanolamine Biosynthesis PE(18:1(11Z)/20:0) (PathBank: SMP0071757)
- Phosphatidylethanolamine Biosynthesis PE(18:1(11Z)/20:1(11Z)) (PathBank: SMP0071758)
- Phosphatidylethanolamine Biosynthesis PE(18:1(11Z)/22:0) (PathBank: SMP0071760)
- Phosphatidylethanolamine Biosynthesis PE(18:3(6Z,9Z,12Z)/22:0) (PathBank: SMP0071775)
- Phosphatidylethanolamine Biosynthesis PE(18:3(9Z,12Z,15Z)/20:0) (PathBank: SMP0071778)
- Phosphatidylethanolamine Biosynthesis PE(20:0/20:0) (PathBank: SMP0071783)
- Phosphatidylethanolamine Biosynthesis PE(22:0/22:1(13Z)) (PathBank: SMP0071796)
- Phosphatidylethanolamine Biosynthesis PE(22:1(13Z)/22:1(13Z)) (PathBank: SMP0071797)
- Phosphatidylcholine Biosynthesis (PathBank: SMP0014205)
- Phosphatidylethanolamine Biosynthesis PE(16:0/18:1(9Z)) (PathBank: SMP0071722)
- Phosphatidylethanolamine Biosynthesis PE(16:0/18:3(9Z,12Z,15Z)) (PathBank: SMP0071726)
- Phosphatidylethanolamine Biosynthesis PE(18:0/18:3(9Z,12Z,15Z)) (PathBank: SMP0071737)
- Phosphatidylethanolamine Biosynthesis PE(18:0/22:1(13Z)) (PathBank: SMP0071742)
- Phosphatidylethanolamine Biosynthesis PE(18:1(9Z)/18:1(11Z)) (PathBank: SMP0071744)
- Phosphatidylethanolamine Biosynthesis PE(18:1(9Z)/18:2(9Z,12Z)) (PathBank: SMP0071745)
- Phosphatidylethanolamine Biosynthesis PE(18:1(9Z)/18:3(9Z,12Z,15Z)) (PathBank: SMP0071747)
- Phosphatidylethanolamine Biosynthesis PE(18:1(11Z)/18:1(11Z)) (PathBank: SMP0071753)
- Phosphatidylethanolamine Biosynthesis PE(18:1(11Z)/18:3(6Z,9Z,12Z)) (PathBank: SMP0071755)
- Phosphatidylethanolamine Biosynthesis PE(18:1(11Z)/22:1(13Z)) (PathBank: SMP0071761)
- Phosphatidylethanolamine Biosynthesis PE(18:2(9Z,12Z)/18:2(9Z,12Z)) (PathBank: SMP0071762)
- Phosphatidylethanolamine Biosynthesis PE(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)) (PathBank: SMP0071763)
- Phosphatidylethanolamine Biosynthesis PE(18:2(9Z,12Z)/20:0) (PathBank: SMP0071765)
- Phosphatidylethanolamine Biosynthesis PE(18:2(9Z,12Z)/20:1(11Z)) (PathBank: SMP0071766)
- Phosphatidylethanolamine Biosynthesis PE(18:2(9Z,12Z)/22:0) (PathBank: SMP0071768)
- Phosphatidylethanolamine Biosynthesis PE(18:3(9Z,12Z,15Z)/20:1(11Z)) (PathBank: SMP0071779)
- Phosphatidylethanolamine Biosynthesis PE(18:3(9Z,12Z,15Z)/22:0) (PathBank: SMP0071781)
- Phosphatidylethanolamine Biosynthesis PE(18:3(9Z,12Z,15Z)/22:1(13Z)) (PathBank: SMP0071782)
- Phosphatidylethanolamine Biosynthesis PE(20:0/20:1(11Z)) (PathBank: SMP0071784)
- Phosphatidylethanolamine Biosynthesis PE(20:0/22:0) (PathBank: SMP0071786)
- Phosphatidylethanolamine Biosynthesis PE(20:1(11Z)/22:0) (PathBank: SMP0071790)
- Threonine Biosynthesis (PathBank: SMP0121292)
- Glycerol Metabolism (PathBank: SMP0121309)
- Glycerol Metabolism V (Glycerophosphoserine) (PathBank: SMP0121313)
- Etoposide Metabolism Pathway (PathBank: SMP0000601)
- Teniposide Metabolism Pathway (PathBank: SMP0000602)
- Clopidogrel Metabolism Pathway (PathBank: SMP0000610)
- Choline Biosynthesis II (PathBank: SMP0012027)
- D-myo-Inositol (1,4,5)-Trisphosphate Biosynthesis (PathBank: SMP0012029)
- Glycine Betaine Biosynthesis II (PathBank: SMP0012048)
- Phosphatidylethanolamine Biosynthesis (PathBank: SMP0014208)
- Ascorbate Biosynthesis (PathBank: SMP0063817)
- Phosphatidylethanolamine Biosynthesis PE(16:0/20:1(13Z)) (PathBank: SMP0071729)
- Phosphatidylethanolamine Biosynthesis PE(18:0/20:1(13Z)) (PathBank: SMP0071740)
- Phosphatidylethanolamine Biosynthesis PE(18:1(9Z)/20:1(13Z)) (PathBank: SMP0071750)
- Phosphatidylethanolamine Biosynthesis PE(18:1(11Z)/20:1(13Z)) (PathBank: SMP0071759)
- Phosphatidylethanolamine Biosynthesis PE(18:2(9Z,12Z)/20:1(13Z)) (PathBank: SMP0071767)
- Phosphatidylethanolamine Biosynthesis PE(18:3(6Z,9Z,12Z)/20:1(13Z)) (PathBank: SMP0071774)
- Phosphatidylethanolamine Biosynthesis PE(18:3(9Z,12Z,15Z)/20:1(13Z)) (PathBank: SMP0071780)
- Phosphatidylethanolamine Biosynthesis PE(20:0/20:1(13Z)) (PathBank: SMP0071785)
- Phosphatidylethanolamine Biosynthesis PE(20:1(11Z)/20:1(13Z)) (PathBank: SMP0071789)
- Phosphatidylethanolamine Biosynthesis PE(20:1(13Z)/20:1(13Z)) (PathBank: SMP0071792)
- Phosphatidylethanolamine Biosynthesis PE(20:1(13Z)/22:0) (PathBank: SMP0071793)
- Phosphatidylethanolamine Biosynthesis PE(20:1(13Z)/22:1(13Z)) (PathBank: SMP0071794)
- Alpha-Linolenic Acid Metabolism (PathBank: SMP0121229)
Multicellular process |
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| Role | |
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| Physical Properties |
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| State | Solid |
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| Experimental Molecular Properties | | Property | Value | Reference |
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| Melting Point | 850 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
|
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| Experimental Chromatographic Properties | Not Available |
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| Predicted Molecular Properties | |
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| Predicted Chromatographic Properties | Predicted Collision Cross Sections| Predictor | Adduct Type | CCS Value (Å2) | Reference |
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| DeepCCS | [M+H]+ | 109.723 | 30932474 | | DeepCCS | [M-H]- | 107.999 | 30932474 | | DeepCCS | [M-2H]- | 143.203 | 30932474 | | DeepCCS | [M+Na]+ | 116.533 | 30932474 |
Predicted Retention Times Underivatized| Chromatographic Method | Retention Time | Reference |
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| AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid | 306.4 seconds | 40023050 | | Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid | 1046.5 seconds | 40023050 | | Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid | 488.4 seconds | 40023050 | | Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid | 219.5 seconds | 40023050 | | Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid | 402.8 seconds | 40023050 | | RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid | 261.3 seconds | 40023050 | | Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid | 377.1 seconds | 40023050 | | BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid | 480.7 seconds | 40023050 | | HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate) | 716.5 seconds | 40023050 | | UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid | 753.8 seconds | 40023050 | | BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid | 238.7 seconds | 40023050 | | UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid | 828.0 seconds | 40023050 | | SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid | 334.2 seconds | 40023050 | | RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid | 425.4 seconds | 40023050 | | MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate | 764.0 seconds | 40023050 | | KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA | 419.7 seconds | 40023050 | | Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water | 337.0 seconds | 40023050 |
Predicted Kovats Retention IndicesUnderivatized |
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| Disease References | | Multiple sclerosis |
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- Forte G, Visconti A, Santucci S, Ghazaryan A, Figa-Talamanca L, Cannoni S, Bocca B, Pino A, Violante N, Alimonti A, Salvetti M, Ristori G: Quantification of chemical elements in blood of patients affected by multiple sclerosis. Ann Ist Super Sanita. 2005;41(2):213-6. [PubMed:16244395 ]
| | Oculocerebrorenal syndrome |
|---|
- Charnas LR, Bernardini I, Rader D, Hoeg JM, Gahl WA: Clinical and laboratory findings in the oculocerebrorenal syndrome of Lowe, with special reference to growth and renal function. N Engl J Med. 1991 May 9;324(19):1318-25. doi: 10.1056/NEJM199105093241904. [PubMed:2017228 ]
| | Hypoparathyroidism-retardation-dysmorphism syndrome |
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- Sanjad SA, Sakati NA, Abu-Osba YK, Kaddoura R, Milner RD: A new syndrome of congenital hypoparathyroidism, severe growth failure, and dysmorphic features. Arch Dis Child. 1991 Feb;66(2):193-6. [PubMed:2001103 ]
| | Hypomagnesemia 1, intestinal |
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- Hennekam RC, Donckerwolcke RA: Primary hypomagnesaemia, an autosomal recessive inherited disease? Lancet. 1983 Apr 23;1(8330):927. [PubMed:6132241 ]
| | Digeorge Syndrome |
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- Cheung EN, George SR, Costain GA, Andrade DM, Chow EW, Silversides CK, Bassett AS: Prevalence of hypocalcaemia and its associated features in 22q11.2 deletion syndrome. Clin Endocrinol (Oxf). 2014 Aug;81(2):190-6. doi: 10.1111/cen.12466. Epub 2014 May 27. [PubMed:24735350 ]
| | Mitochondrial trifunctional protein deficiency |
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- den Boer ME, Dionisi-Vici C, Chakrapani A, van Thuijl AO, Wanders RJ, Wijburg FA: Mitochondrial trifunctional protein deficiency: a severe fatty acid oxidation disorder with cardiac and neurologic involvement. J Pediatr. 2003 Jun;142(6):684-9. doi: 10.1067/mpd.2003.231. [PubMed:12838198 ]
| | Hyperphosphatasia |
|---|
- Saki F, Karamizadeh Z, Nasirabadi S, Mumm S, McAlister WH, Whyte MP: Juvenile paget's disease in an Iranian kindred with vitamin D deficiency and novel homozygous TNFRSF11B mutation. J Bone Miner Res. 2013 Jun;28(6):1501-8. doi: 10.1002/jbmr.1868. [PubMed:23322328 ]
| | Bartter Syndrome, Type 3 |
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- Seys E, Andrini O, Keck M, Mansour-Hendili L, Courand PY, Simian C, Deschenes G, Kwon T, Bertholet-Thomas A, Bobrie G, Borde JS, Bourdat-Michel G, Decramer S, Cailliez M, Krug P, Cozette P, Delbet JD, Dubourg L, Chaveau D, Fila M, Jourde-Chiche N, Knebelmann B, Lavocat MP, Lemoine S, Djeddi D, Llanas B, Louillet F, Merieau E, Mileva M, Mota-Vieira L, Mousson C, Nobili F, Novo R, Roussey-Kesler G, Vrillon I, Walsh SB, Teulon J, Blanchard A, Vargas-Poussou R: Clinical and Genetic Spectrum of Bartter Syndrome Type 3. J Am Soc Nephrol. 2017 Aug;28(8):2540-2552. doi: 10.1681/ASN.2016101057. Epub 2017 Apr 5. [PubMed:28381550 ]
| | Cerebrotendinous xanthomatosis |
|---|
- Agrawal NK, Garg S: Cerebrotendinous xanthomatosis: a rare disorder with a rare presentation. BMJ Case Rep. 2012 Sep 21;2012. pii: bcr-2012-006202. doi: 10.1136/bcr-2012-006202. [PubMed:23001091 ]
| | Bartter Syndrome, Type 1, Antenatal |
|---|
- Adachi M, Asakura Y, Sato Y, Tajima T, Nakajima T, Yamamoto T, Fujieda K: Novel SLC12A1 (NKCC2) mutations in two families with Bartter syndrome type 1. Endocr J. 2007 Dec;54(6):1003-7. Epub 2007 Nov 12. [PubMed:17998760 ]
| | Primary hypomagnesemia |
|---|
- Vainsel M, Vandevelde G, Smulders J, Vosters M, Hubain P, Loeb H: Tetany due to hypomagnesaemia with secondary hypocalcaemia. Arch Dis Child. 1970 Apr;45(240):254-8. [PubMed:5419995 ]
- Shalev H, Phillip M, Galil A, Carmi R, Landau D: Clinical presentation and outcome in primary familial hypomagnesaemia. Arch Dis Child. 1998 Feb;78(2):127-30. [PubMed:9579153 ]
- Jin-no Y, Kamiya Y, Okada M, Hirako M, Takada N, Kawaguchi M: Primary hypomagnesemia caused by isolated magnesium malabsorption: atypical case in adult. Intern Med. 1999 Mar;38(3):261-5. [PubMed:10337938 ]
- Kari JA, Farouq M, Alshaya HO: Familial hypomagnesemia with hypercalciuria and nephrocalcinosis. Pediatr Nephrol. 2003 Jun;18(6):506-10. Epub 2003 Apr 29. [PubMed:12720080 ]
| | Parkinson's disease |
|---|
- Forte G, Alimonti A, Pino A, Stanzione P, Brescianini S, Brusa L, Sancesario G, Violante N, Bocca B: Metals and oxidative stress in patients with Parkinson's disease. Ann Ist Super Sanita. 2005;41(2):189-95. [PubMed:16244392 ]
| | Alzheimer's disease |
|---|
- Bocca B, Forte G, Petrucci F, Pino A, Marchione F, Bomboi G, Senofonte O, Giubilei F, Alimonti A: Monitoring of chemical elements and oxidative damage in patients affected by Alzheimer's disease. Ann Ist Super Sanita. 2005;41(2):197-203. [PubMed:16244393 ]
| | Bartter Syndrome, Type 2, Antenatal |
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- Chan WK, To KF, Tong JH, Law CW: Paradoxical hypertension and salt wasting in Type II Bartter syndrome. Clin Kidney J. 2012 Jun;5(3):217-20. doi: 10.1093/ckj/sfs026. Epub 2012 Mar 29. [PubMed:26069767 ]
| | Sucrase-isomaltase deficiency |
|---|
- Belmont JW, Reid B, Taylor W, Baker SS, Moore WH, Morriss MC, Podrebarac SM, Glass N, Schwartz ID: Congenital sucrase-isomaltase deficiency presenting with failure to thrive, hypercalcemia, and nephrocalcinosis. BMC Pediatr. 2002 Apr 25;2:4. [PubMed:12014995 ]
| | Bartter Syndrome, Type 5, Antenatal, Transient |
|---|
- Laghmani K, Beck BB, Yang SS, Seaayfan E, Wenzel A, Reusch B, Vitzthum H, Priem D, Demaretz S, Bergmann K, Duin LK, Gobel H, Mache C, Thiele H, Bartram MP, Dombret C, Altmuller J, Nurnberg P, Benzing T, Levtchenko E, Seyberth HW, Klaus G, Yigit G, Lin SH, Timmer A, de Koning TJ, Scherjon SA, Schlingmann KP, Bertrand MJ, Rinschen MM, de Backer O, Konrad M, Komhoff M: Polyhydramnios, Transient Antenatal Bartter's Syndrome, and MAGED2 Mutations. N Engl J Med. 2016 May 12;374(19):1853-63. doi: 10.1056/NEJMoa1507629. Epub 2016 Apr 27. [PubMed:27120771 ]
| | Bartter Syndrome, Type 4A, Neonatal, with Sensorineural Deafness |
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- Zaffanello M, Taranta A, Palma A, Bettinelli A, Marseglia GL, Emma F: Type IV Bartter syndrome: report of two new cases. Pediatr Nephrol. 2006 Jun;21(6):766-70. doi: 10.1007/s00467-006-0090-x. Epub 2006 Apr 1. [PubMed:16583241 ]
- Heilberg IP, Totoli C, Calado JT: Adult presentation of Bartter syndrome type IV with erythrocytosis. Einstein (Sao Paulo). 2015 Oct-Dec;13(4):604-6. doi: 10.1590/S1679-45082015RC3013. Epub 2015 Oct 30. [PubMed:26537508 ]
| | Bartter Syndrome, Type 4B, Neonatal, With Sensorineural Deafness |
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- Nozu K, Inagaki T, Fu XJ, Nozu Y, Kaito H, Kanda K, Sekine T, Igarashi T, Nakanishi K, Yoshikawa N, Iijima K, Matsuo M: Molecular analysis of digenic inheritance in Bartter syndrome with sensorineural deafness. J Med Genet. 2008 Mar;45(3):182-6. doi: 10.1136/jmg.2007.052944. [PubMed:18310267 ]
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