Showing metabocard for Lithium (MMDBc0030353)

Pharmaceutical
Xenobiotic
Record Information
Version2.0
StatusDetected and Quantified
Creation Date2021-11-18 00:04:54 UTC
Update Date2024-10-13 08:16:09 UTC
Metabolite IDMMDBc0030353
Metabolite Identification
Common NameLithium
DescriptionLithium (Li) is an alkali metal with atomic number 3. Trace amounts of lithium are present in all organisms, though the element serves no apparent vital biological function. (Wikipedia ) Scientific research has suggested that lithium is an inhibitor of several E. coli enzymes, such as L-rhamnulose-1-phosphate aldolase. (EcoCyc)
Structure
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for #<Metabolite:0x00007f9af11c5320>

1356
  Mrv0541 02231215242D          

  1  0  0  0  0  0            999 V2000
    2.0000    0.0000    0.0000 Li  0  3  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   1
M  END
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3D MOL for #<Metabolite:0x00007f9af11c5320>

HMDB0005949
     RDKit          3D
Lithium
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Li  0  0  0  0  0 15  0  0  0  0  0  0
M  CHG  1   1   1
M  END
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3D SDF for #<Metabolite:0x00007f9af11c5320>

1356
  Mrv0541 02231215242D          

  1  0  0  0  0  0            999 V2000
    2.0000    0.0000    0.0000 Li  0  3  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   1
M  END
> <DATABASE_ID>
MMDBc0030353

> <DATABASE_NAME>
MIME

> <SMILES>
[Li+]

> <INCHI_IDENTIFIER>
InChI=1S/Li/q+1

> <INCHI_KEY>
HBBGRARXTFLTSG-UHFFFAOYSA-N

> <FORMULA>
Li

> <MOLECULAR_WEIGHT>
6.941

> <EXACT_MASS>
7.016004049

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
lithium(1+) ion

> <JCHEM_LOGP>
0

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
lithium(1+) ion

> <JCHEM_VEBER_RULE>
1

$$$$
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3D-SDF for #<Metabolite:0x00007f9af11c5320>

HMDB0005949
     RDKit          3D
Lithium
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Li  0  0  0  0  0 15  0  0  0  0  0  0
M  CHG  1   1   1
M  END
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PDB for #<Metabolite:0x00007f9af11c5320>

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 1356                                              
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1 Li   UNK     0       3.733   0.000   0.000  0.00  0.00          Li+1
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END
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3D PDB for #<Metabolite:0x00007f9af11c5320>

COMPND    HMDB0005949
HETATM    1 LI1  UNL     1       0.000   0.000   0.000  1.00  0.00          LI1+
END
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SMILES for #<Metabolite:0x00007f9af11c5320>

[Li+]
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INCHI for #<Metabolite:0x00007f9af11c5320>

InChI=1S/Li/q+1
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Synonyms
ValueSource
Li(+)ChEBI
Lithium cationChEBI
LITHIUM ionChEBI
Lithium, ionChEBI
Lithium, ion (li1+)ChEBI
LiHMDB
Li(+) cationHMDB
Li(+) ionHMDB
Lithium atomHMDB
Lithium elementHMDB
Molecular FormulaLi
Average Mass6.941
Monoisotopic Mass7.016004049
IUPAC Namelithium(1+) ion
Traditional Namelithium(1+) ion
CAS Registry Number7439-93-2
SMILES
[Li+]
InChI Identifier
InChI=1S/Li/q+1
InChI KeyHBBGRARXTFLTSG-UHFFFAOYSA-N