Showing metabocard for cobalt(+) (MMDBc0054702)

Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-06 15:55:32 UTC
Update Date2024-09-29 08:32:32 UTC
Metabolite IDMMDBc0054702
Metabolite Identification
Common Namecobalt(+)
Description
Structure
MOLSDFPDBSMILESInChI

MOL for #<Metabolite:0x00007f46ecba55d8>


  Mrv1652305221920072D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Co  0  0  0  0  0  0  0  0  0  0  0  0
M  END
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3D MOL for #<Metabolite:0x00007f46ecba55d8>

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3D SDF for #<Metabolite:0x00007f46ecba55d8>

  Mrv1652305221920072D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Co  0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0054702

> <DATABASE_NAME>
MIME

> <SMILES>
[Co]

> <INCHI_IDENTIFIER>
InChI=1S/Co

> <INCHI_KEY>
GUTLYIVDDKVIGB-UHFFFAOYSA-N

> <FORMULA>
Co

> <MOLECULAR_WEIGHT>
58.9332

> <EXACT_MASS>
58.933200194

> <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>
cobalt

> <ALOGPS_LOGP>
-1.31

> <JCHEM_LOGP>
0.22999999999999998

> <ALOGPS_LOGS>
1.08

> <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

> <ALOGPS_SOLUBILITY>
0.00e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cobalt

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for #<Metabolite:0x00007f46ecba55d8>
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PDB for #<Metabolite:0x00007f46ecba55d8>
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 Co   UNK     0       0.000   0.000   0.000  0.00  0.00          Co+0
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END

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3D PDB for #<Metabolite:0x00007f46ecba55d8>
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SMILES for #<Metabolite:0x00007f46ecba55d8>
[Co]
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INCHI for #<Metabolite:0x00007f46ecba55d8>
InChI=1S/Co
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Synonyms
ValueSource
27CoChEBI
CoChEBI
CobaltoChEBI
CobaltumChEBI
KobaltChEBI
Molecular FormulaCo
Average Mass58.9332
Monoisotopic Mass58.933200194
IUPAC Namecobalt
Traditional Namecobalt
CAS Registry NumberNot Available
SMILES
[Co]
InChI Identifier
InChI=1S/Co
InChI KeyGUTLYIVDDKVIGB-UHFFFAOYSA-N