Np mrd loader

Showing NP-Card for Lithium (NP0046391)

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Record Information
Version1.0
Created at2022-03-17 19:57:16 UTC
Updated at2022-03-17 19:57:16 UTC
NP-MRD IDNP0046391
Secondary Accession NumbersNone
Natural Product Identification
Common NameLithium
DescriptionLithium, also known as 3LI or litio, belongs to the class of inorganic compounds known as homogeneous alkali metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a alkali metal atom. Lithium is possibly neutral. In humans, lithium is involved in inositol phosphate metabolism. Outside of the human body, Lithium is found, on average, in the highest concentration within a few different foods, such as milk (cow), common thymes, and common beans and in a lower concentration in romaine lettuces, pears, and endives. Lithium has also been detected, but not quantified in, several different foods, such as cow milks, cow milks, cow milks, cow milks, and pepper (c. Frutescens). This could make lithium a potential biomarker for the consumption of these foods. Lithium is present in biological systems in trace amounts; its functions are uncertain.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0046391 (Lithium)


  Mrv1652305221920092D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0
M  END
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3D MOL for NP0046391 (Lithium)

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3D SDF for NP0046391 (Lithium)

  Mrv1652305221920092D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
NP0046391

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[Li]

> <INCHI_IDENTIFIER>
InChI=1S/Li

> <INCHI_KEY>
WHXSMMKQMYFTQS-UHFFFAOYSA-N

> <FORMULA>
Li

> <MOLECULAR_WEIGHT>
6.941

> <EXACT_MASS>
7.016004049

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
lithium

> <JCHEM_LOGP>
0.0

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
lithium

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0046391 (Lithium)
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PDB for NP0046391 (Lithium)
HEADER    PROTEIN                                 22-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-MAY-19         0                                  
HETATM    1 Li   UNK     0       0.000   0.000   0.000  0.00  0.00          Li+0
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END

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3D PDB for NP0046391 (Lithium)
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SMILES for NP0046391 (Lithium)
[Li]
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INCHI for NP0046391 (Lithium)
InChI=1S/Li
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View in JSmol
Synonyms
ValueSource
3LiChEBI
LiChEBI
LitioChEBI
Normothymin-eKegg
Lithium-7MeSH
Lithium 7MeSH
Chemical FormulaLi
Average Mass6.9410 Da
Monoisotopic Mass7.01600 Da
IUPAC Namelithium
Traditional Namelithium
CAS Registry Number7439-93-2
SMILES
[Li]
InChI Identifier
InChI=1S/Li
InChI KeyWHXSMMKQMYFTQS-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Allium cepaFooDB
Anas platyrhynchosFooDB
AnatidaeFooDB
Anser anserFooDB
Asparagus officinalisFooDB
Bison bisonFooDB
Bos taurusFooDB
Bos taurus X Bison bisonFooDB
Brassica oleracea var. capitataFooDB
Bubalus bubalisFooDB
Capra aegagrus hircusFooDB
Capsicum annuumFooDB
Capsicum annuum var. annuumFooDB
CervidaeFooDB
Cervus canadensisFooDB
Cichorium endiviaFooDB
Citrus X sinensis (L.) Osbeck (pro. sp.)FooDB
ColumbaFooDB
ColumbidaeFooDB
Cucumis meloFooDB
Cucumis sativus L.FooDB
Daucus carotaFooDB
Daucus carota ssp. sativusFooDB
Dromaius novaehollandiaeFooDB
Equus caballusFooDB
Gallus gallusFooDB
Lactuca sativaFooDB
Lagopus mutaFooDB
LeporidaeFooDB
Lepus timidusFooDB
Linum usitatissimumFooDB
Malus pumilaFooDB
Melanitta fuscaFooDB
Meleagris gallopavoFooDB
Numida meleagrisFooDB
OdocoileusFooDB
OryctolagusFooDB
Ovis ariesFooDB
Petroselinum crispumFooDB
Phaseolus vulgarisFooDB
PhasianidaeFooDB
Phasianus colchicusFooDB
Prunus domesticaFooDB
Prunus persicaFooDB
Pyrus communisFooDB
Solanum lycopersicum var. lycopersicumFooDB
Solanum melongenaFooDB
Solanum tuberosumFooDB
Struthio camelusFooDB
Sus scrofaFooDB
Sus scrofa domesticaFooDB
Thymus vulgarisFooDB
Vitis vinifera L.FooDB
Zea mays L.FooDB
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as homogeneous alkali metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a alkali metal atom.
KingdomInorganic compounds  
Super ClassHomogeneous metal compounds  
ClassHomogeneous alkali metal compounds  
Sub ClassNot Available
Direct ParentHomogeneous alkali metal compounds  
Alternative ParentsNot Available
Substituents
  • Homogeneous alkali metal
Molecular FrameworkNot Available
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP0ChemAxon
Physiological Charge0ChemAxon
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
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB004181  
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDC15473  
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkLithium  
METLIN IDNot Available
PubChem Compound3028194  
PDB IDNot Available
ChEBI ID30145  
Good Scents IDNot Available
References
General ReferencesNot Available