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Showing metabocard for Strontium (HMDB0003642)

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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-08-13 02:26:15 UTC
Update Date2020-02-26 21:24:44 UTC
HMDB IDHMDB0003642
Secondary Accession Numbers
  • HMDB03642
Metabolite Identification
Common NameStrontium
DescriptionStrontium, also known as SR2+ or strontium ion, 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. Strontium is found, on average, in the highest concentration within a few different foods, such as cabbages (Brassica oleracea var. capitata), common persimmons (Diospyros virginiana), and parsleys (Petroselinum crispum) and in a lower concentration in beer, broccolis (Brassica oleracea var. italica), and garden tomato (var.). Strontium has also been detected, but not quantified in, several different foods, such as cow milk, flaxseeds (Linum usitatissimum), cow milk, cow milk, and black-eyed peas (Vigna unguiculata ssp. unguiculata). This could make strontium a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Strontium.
Structure
Data?1582752284
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0003642 (Strontium)


  Mrv0541 02231219462D          

  1  0  0  0  0  0            999 V2000
   27.0058  -16.3432    0.0000 Sr  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   2
M  END
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3D MOL for HMDB0003642 (Strontium)

HMDB0003642
     RDKit          3D
Strontium
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Sr  0  0  0  0  0 15  0  0  0  0  0  0
M  CHG  1   1   2
M  END
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3D SDF for HMDB0003642 (Strontium)


  Mrv0541 02231219462D          

  1  0  0  0  0  0            999 V2000
   27.0058  -16.3432    0.0000 Sr  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   2
M  END
> <DATABASE_ID>
HMDB0003642

> <DATABASE_NAME>
hmdb

> <SMILES>
[Sr++]

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

> <INCHI_KEY>
PWYYWQHXAPXYMF-UHFFFAOYSA-N

> <FORMULA>
Sr

> <MOLECULAR_WEIGHT>
87.62

> <EXACT_MASS>
87.905614339

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
strontium(2+) ion

> <JCHEM_LOGP>
-0.3

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
strontium(2+) ion

> <JCHEM_VEBER_RULE>
1

$$$$
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3D-SDF for HMDB0003642 (Strontium)

HMDB0003642
     RDKit          3D
Strontium
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Sr  0  0  0  0  0 15  0  0  0  0  0  0
M  CHG  1   1   2
M  END
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PDB for HMDB0003642 (Strontium)

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1 Sr   UNK     0      50.411 -30.507   0.000  0.00  0.00          Sr+2
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END
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3D PDB for HMDB0003642 (Strontium)

COMPND    HMDB0003642
HETATM    1 SR1  UNL     1       0.000   0.000   0.000  1.00  0.00          SR2+
END
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SMILES for HMDB0003642 (Strontium)

[Sr++]
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INCHI for HMDB0003642 (Strontium)

InChI=1S/Sr/q+2
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View in JSmolView Stereo Labels
Synonyms
ValueSource
SR(2+)ChEBI
SR2+ChEBI
STRONTIUM ionChEBI
Strontium(2+)Kegg
StrontiumChEBI
Chemical FormulaSr
Average Molecular Weight87.62
Monoisotopic Molecular Weight87.905614339
IUPAC Namestrontium(2+) ion
Traditional Namestrontium(2+) ion
CAS Registry Number7440-24-6
SMILES
[Sr++]
InChI Identifier
InChI=1S/Sr/q+2
InChI KeyPWYYWQHXAPXYMF-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 effect
Health effect
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Biological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point777 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-0.3ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+125.132859911
AllCCS[M+H-H2O]+121.332859911
AllCCS[M+NH4]+128.532859911
AllCCS[M+Na]+129.532859911
AllCCS[M-H]-149.432859911
AllCCS[M+Na-2H]-161.132859911
AllCCS[M+HCOO]-173.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Strontium[Sr++]690.8Standard polar33892256
Strontium[Sr++]274.9Standard non polar33892256
Strontium[Sr++]59.9Semi standard non polar33892256
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Cerebrospinal Fluid (CSF)
  • Saliva
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.18-0.46 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.32 +/- 0.14 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.44 +/- 0.17 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.32 +/- 0.14 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.37 +/- 0.10 uMAdult (>18 years old)BothNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified0.44 +/- 0.17 uMElderly (>65 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified1.120 +/- 2.481 uMAdult (>18 years old)Not SpecifiedNormal details
SalivaDetected and Quantified0.534 +/- 0.46 uMAdult (>18 years old)BothNormal
    • Zerihun T. Dame, ...
 details
SalivaDetected and Quantified0.0247 +/- 0.0110 uMAdult (>18 years old)Male
Normal		 details
SalivaDetected and Quantified0.0211 +/- 0.0131 uMAdult (>18 years old)Male
Normal		 details
SalivaDetected and Quantified0.0395 +/- 0.0397 uMAdult (>18 years old)Male
Normal		 details
SalivaDetected and Quantified0.103-0.297 uMChildren (1-13 years old)BothNormal
    • Gian Paolo Sighin...
 details
SalivaDetected and Quantified0.399 (0.228-33.440) uMAdolescent (13-18 years old)MaleNormal details
SalivaDetected and Quantified15.407 +/- 16.549 uMAdult (>18 years old)Male
Normal		 details
SalivaDetected and Quantified13.125 +/- 23.739 uMAdult (>18 years old)Male
Normal		 details
SalivaDetected and Quantified0.0112 +/- 0.0033 uMAdult (>18 years old)Not Specified
Normal		 details
SalivaDetected and Quantified0.00902 +/- 0.00308 uMAdult (>18 years old)Not Specified
Normal		 details
SalivaDetected and Quantified0.0233 +/- 0.0175 uMAdult (>18 years old)Male
Normal		 details
UrineDetected and Quantified0.163 (0.030-0.415) umol/mmol creatinineAdult (>18 years old)Both
Normal		 details
UrineDetected and Quantified0.1333 umol/mmol creatinineNot SpecifiedNot SpecifiedNormal
    • Geigy scientific ...
 details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.42 +/- 0.13 uMAdult (>18 years old)Both
Parkinson's disease		 details
BloodDetected and Quantified0.27 +/- 0.09 uMAdult (>18 years old)Both
Multiple sclerosis		 details
BloodDetected and Quantified0.32 +/- 0.10 uMAdult (>18 years old)Both
Parkinson's disease		 details
BloodDetected and Quantified0.44 +/- 0.16 uMElderly (>65 years old)Both
Alzheimer's disease		 details
Associated Disorders and Diseases
Disease References
Alzheimer's disease
  1. 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 ]
Multiple sclerosis
  1. 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 ]
Parkinson's disease
  1. 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 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB003786
KNApSAcK IDNot Available
Chemspider ID94599
KEGG Compound IDC13884
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkStrontium
METLIN IDNot Available
PubChem Compound104798
PDB IDNot Available
ChEBI ID35104
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Schaafsma A, de Vries PJ, Saris WH: Delay of natural bone loss by higher intakes of specific minerals and vitamins. Crit Rev Food Sci Nutr. 2001 May;41(4):225-49. [PubMed:11401244 ]
  2. D'Haese PC, De Broe ME: Adequacy of dialysis: trace elements in dialysis fluids. Nephrol Dial Transplant. 1996;11 Suppl 2:92-7. [PubMed:8804004 ]