Livestock Metabolome Database: Showing metabocard for Calcium (LMDB00159)

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-07-13 19:43:39 UTC

Update Date

2020-03-11 21:23:49 UTC

Lmdb

LMDB00159

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Calcium

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.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Ca(2+)	ChEBI
Ca2+	ChEBI
CALCIUM ion	ChEBI
Calcium, doubly charged positive ion	ChEBI
Calcium(2+)	Kegg
Ca	HMDB
Calcium element	HMDB

Chemical Formula

Average Molecular Weight

40.078

Monoisotopic Molecular Weight

39.962591155

IUPAC Name

calcium(2+) ion

Traditional Name

calcium(2+) ion

CAS Registry Number

7440-70-2

SMILES

[Ca++]

InChI Identifier

InChI=1S/Ca/q+2

InChI Key

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

Chemical Taxonomy

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.

Kingdom

Inorganic compounds

Super Class

Homogeneous metal compounds

Class

Homogeneous alkaline earth metal compounds

Sub Class

Not Available

Direct Parent

Homogeneous alkaline earth metal compounds

Alternative Parents

Not Available

Substituents

Homogeneous alkaline earth metal

Molecular Framework

Not Available

External Descriptors

monoatomic dication (CHEBI:29108 )
divalent metal cation (CHEBI:29108 )
calcium cation (CHEBI:29108 )
a cation (CA+2 )

Ontology

Status

Detected and Quantified

Origin

Not Available

Biofunction

Not Available

Application

Not Available

Cellular locations

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-0.57	ChemAxon
pKa (Strongest Acidic)	3.09	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	0 m³·mol⁻¹	ChemAxon
Polarizability	1.78 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0006-9000000000-382f6681443a5ba4aff6	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0006-9000000000-382f6681443a5ba4aff6	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0006-9000000000-382f6681443a5ba4aff6	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-000i-9000000000-b897a59dd4cd48dea0d1	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-000i-9000000000-b897a59dd4cd48dea0d1	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-000i-9000000000-b897a59dd4cd48dea0d1	Spectrum

Biological Properties

Cellular Locations

Not Available

Biofluid Locations and Tissue Locations

Follicular Fluid
Milk
Plasma
Ruminal Fluid
Serum

Concentrations

Biofluid	Status	Value	Condition	Species	Reference	Details
Follicular Fluid	Detected and Quantified	2145.816 uM	Not Available	Bovine	C. Lutwak-Mann. N...	details
Follicular Fluid	Detected and Quantified	1946.205 +/- 998.0538 uM	Not Available	Porcine	183842	details
Milk	Detected and Quantified	1,062.33+/-45.39 mg/kg	Not Available	Bovine	23040012	details
Milk	Detected and Quantified	1,120.16+/-26.21 mg/kg	Not Available	Bovine	23040012	details
Milk	Detected and Quantified	1,271.44+/-21.81 mg/kg	Not Available	Bovine	23040012	details
Milk	Detected and Quantified	1,457.92+/-23.99 mg/kg	Not Available	Bovine	23040012	details
Milk	Detected and Quantified	1,632.04+/-23.08 mg/kg	Not Available	Bovine	23040012	details
Milk	Detected and Quantified	2110 mg/kg	Not Available	Ovine	22004605	details
Milk	Detected and Quantified	2120 mg/kg	Not Available	Ovine	22004605	details
Milk	Detected and Quantified	2190 mg/kg	Not Available	Ovine	22004605	details
Milk	Detected and Quantified	2220 mg/kg	Not Available	Ovine	22004605	details
Milk	Detected and Quantified	2220 mg/kg	Not Available	Ovine	22004605	details
Milk	Detected and Quantified	2330 mg/kg	Not Available	Ovine	22004605	details
Milk	Detected and Quantified	1070-1180 mg/kg	Not Available	Caprine	24704223	details
Milk	Detected and Quantified	1090-1140 mg/kg	Not Available	Caprine	24704223	details
Milk	Detected and Quantified	1090-1200 mg/kg	Not Available	Caprine	24704223	details
Milk	Detected and Quantified	970-1170 mg/kg	Not Available	Caprine	24704223	details
Milk	Detected and Quantified	1,097.94 +/- 24.74 mg/kg	Not Available	Bovine	23040012	details
Milk	Detected and Quantified	703.75 +/- 49.29 mg/kg	Not Available	Bovine	23040012	details
Milk	Detected and Quantified	736.72 +/- 28.46 mg/kg	Not Available	Bovine	23040012	details
Milk	Detected and Quantified	857.13 +/- 23.68 mg/kg	Not Available	Bovine	23040012	details
Milk	Detected and Quantified	939.92 +/- 25.71 mg/kg	Not Available	Bovine	23040012	details
Milk	Detected and Quantified	358.58 +/- 26.06 mg/kg	Not Available	Bovine	23040012	details
Milk	Detected and Quantified	383.44 +/- 15.05 mg/kg	Not Available	Bovine	23040012	details
Milk	Detected and Quantified	414.31 +/- 12.52 mg/kg	Not Available	Bovine	23040012	details
Milk	Detected and Quantified	518.00 +/- 26.68 mg/kg	Not Available	Bovine	23040012	details
Milk	Detected and Quantified	534.09 +/- 25.67 mg/kg	Not Available	Bovine	23040012	details
Milk	Detected and Quantified	1220 mg/kg	Not Available	Bovine	Park, Y. W; Juáre...	details
Milk	Detected and Quantified	1930 mg/kg	Not Available	Ovine	Park, Y. W; Juáre...	details
Milk	Detected and Quantified	1340 mg/kg	Not Available	Caprine	Park, Y. W; Juáre...	details
Plasma	Detected and Quantified	2495.134 +/- 99.805 uM	Not Available	Bovine	C. R. E. Cogginsa...	details
Plasma	Detected and Quantified	770 +/- 20 uM	Not Available	Bovine	Abdullah BAŞOĞLU,...	details
Plasma	Detected and Quantified	770 +/- 60 uM	Not Available	Bovine	Abdullah BAŞOĞLU,...	details
Plasma	Detected and Quantified	880 +/- 40 uM	Not Available	Bovine	Abdullah BAŞOĞLU,...	details
Ruminal Fluid	Detected and Quantified	1,050 uM	Not Available	Bovine	Saleem F, Bouatra...	details
Ruminal Fluid	Detected and Quantified	931.0 +/- 27.0 uM	Not Available	Bovine	Saleem F, Bouatra...	details
Ruminal Fluid	Detected and Quantified	5364.539 uM	Not Available	Ovine	M.L.K. Bonsi, P.O...	details
Ruminal Fluid	Detected and Quantified	10105.295-12600.429 uM	Not Available	Ovine	M.L.K. Bonsi, P.O...	details
Ruminal Fluid	Detected and Quantified	10255.00274-14596.537 uM	Not Available	Ovine	M.L.K. Bonsi, P.O...	details
Serum	Detected but not Quantified	Not Applicable	Not Available	Bovine	19275474	details
Serum	Detected and Quantified	2829.8 +/- 645.13 uM	Not Available	Ovine	Candidate serum m...	details
Serum	Detected and Quantified	2694.745 +/- 74.854 uM	Not Available	Porcine	183842	details
Serum	Detected and Quantified	2500 uM	Not Available	Bovine	2286555	details
Serum	Detected and Quantified	2550 uM	Not Available	Bovine	2286555	details
Serum	Detected and Quantified	2485.154-4037.128 uM	Not Available	Bovine	Arthur K. Anderso...	details