Hmdb loader

Showing metabocard for Magnesium (HMDB0000547)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (463) Show 463 proteinsXML
enzymes (463) Show 463 proteins
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-08-15 21:24:16 UTC
Update Date2022-03-07 02:49:03 UTC
HMDB IDHMDB0000547
Secondary Accession Numbers
  • HMDB00547
Metabolite Identification
Common NameMagnesium
DescriptionMagnesium salts are essential in nutrition, being required for the activity of many enzymes, especially those concerned with oxidative phosphorylation. Physiologically, it exists as an ion in the body. It is a component of both intra- and extracellular fluids and is excreted in the urine and feces. Deficiency causes irritability of the nervous system with tetany, vasodilatation, convulsions, tremors, depression, and psychotic behavior. Magnesium ion in large amounts is an ionic laxative, and magnesium sulfate (Epsom salts) is sometimes used for this purpose. So-called "milk of magnesia" is a water suspension of one of the few insoluble magnesium compounds, magnesium hydroxide; the undissolved particles give rise to its appearance and name. Milk of magnesia is a mild base, and is commonly used as an antacid. Moreover, magnesium is found to be associated with primary hypomagnesemia, which is an inborn error of metabolism.
Structure
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0000547 (Magnesium)


  Mrv1652309042000032D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   2
M  END
Download

3D MOL for HMDB0000547 (Magnesium)

HMDB0000547
     RDKit          3D
Magnesium
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Mg  0  0  0  0  0 15  0  0  0  0  0  0
M  CHG  1   1   2
M  END
Download

3D SDF for HMDB0000547 (Magnesium)


  Mrv1652309042000032D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   2
M  END
> <DATABASE_ID>
HMDB0000547

> <DATABASE_NAME>
hmdb

> <SMILES>
[Mg++]

> <INCHI_IDENTIFIER>
InChI=1S/Mg/q+2

> <INCHI_KEY>
JLVVSXFLKOJNIY-UHFFFAOYSA-N

> <FORMULA>
Mg

> <MOLECULAR_WEIGHT>
24.305

> <EXACT_MASS>
23.985041898

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
magnesium(2+) ion

> <JCHEM_LOGP>
-0.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
3.55

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.09

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
magnesium(2+) ion

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0000547 (Magnesium)

HMDB0000547
     RDKit          3D
Magnesium
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Mg  0  0  0  0  0 15  0  0  0  0  0  0
M  CHG  1   1   2
M  END
Download

PDB for HMDB0000547 (Magnesium)

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1 Mg   UNK     0       0.000   0.000   0.000  0.00  0.00          Mg+2
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END
Download

3D PDB for HMDB0000547 (Magnesium)

COMPND    HMDB0000547
HETATM    1 MG1  UNL     1       0.000   0.000   0.000  1.00  0.00          MG2+
END
Download

SMILES for HMDB0000547 (Magnesium)

[Mg++]
Download

INCHI for HMDB0000547 (Magnesium)

InChI=1S/Mg/q+2
Download
View in JSmolView Stereo Labels
Synonyms
ValueSource
MAGNESIUM ionChEBI
Magnesium, doubly charged positive ionChEBI
Magnesium, ion (MG(2+))ChEBI
MG(2+)ChEBI
MG2+ChEBI
Magnesium(2+)Kegg
Magnesium ionsHMDB
Neuropeptide y (1-27)HMDB
Chemical FormulaMg
Average Molecular Weight24.305
Monoisotopic Molecular Weight23.985041898
IUPAC Namemagnesium(2+) ion
Traditional Namemagnesium(2+) ion
CAS Registry Number7439-95-4
SMILES
[Mg++]
InChI Identifier
InChI=1S/Mg/q+2
InChI KeyJLVVSXFLKOJNIY-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.
KingdomInorganic compounds
Super ClassHomogeneous metal compounds
ClassHomogeneous alkaline earth metal compounds
Sub ClassNot Available
Direct ParentHomogeneous alkaline earth metal compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous alkaline earth metal
Molecular FrameworkNot Available
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
Process
Naturally occurring process