Showing metabocard for methyl-Co(2+) (MMDBc0056385)

Record Information
Version2.0
StatusDetected and Quantified
Creation Date2022-06-17 20:24:22 UTC
Update Date2025-10-07 16:09:46 UTC
Metabolite IDMMDBc0056385
Metabolite Identification
Common Namemethyl-Co(2+)
Descriptionmethyl-Co(2+) is a cobalt-containing metabolite classified as a coenzyme. There is limited literature available on this metabolite, indicating that further research may be needed to fully understand its biological significance and potential applications.
Structure
MOLSDFPDBSMILESInChI

MOL for #<Metabolite:0x0000561533c5e088>


  Mrv1652306172222242D          

  2  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.0000    0.0000 Co  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  1   2   2
M  END
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3D MOL for #<Metabolite:0x0000561533c5e088>

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3D SDF for #<Metabolite:0x0000561533c5e088>

  Mrv1652306172222242D          

  2  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.0000    0.0000 Co  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  1   2   2
M  END
> <DATABASE_ID>
MMDBc0056385

> <DATABASE_NAME>
MIME

> <SMILES>
C.[Co++]

> <INCHI_IDENTIFIER>
InChI=1S/CH4.Co/h1H4;/q;+2

> <INCHI_KEY>
GIKVFPNWXHFWJE-UHFFFAOYSA-N

> <FORMULA>
CH4Co

> <MOLECULAR_WEIGHT>
74.975

> <EXACT_MASS>
74.963397

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
2.5910020514760492

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
lambda2-cobalt(2+) ion methane

> <JCHEM_LOGP>
1.0809229439999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
6.3468

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
lambda2-cobalt(2+) ion methane

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for #<Metabolite:0x0000561533c5e088>
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PDB for #<Metabolite:0x0000561533c5e088>
HEADER    PROTEIN                                 17-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-JUN-22         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2 Co   UNK     0       4.620   0.000   0.000  0.00  0.00          Co+2
MASTER        0    0    0    0    0    0    0    0    2    0    0    0
END

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3D PDB for #<Metabolite:0x0000561533c5e088>
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SMILES for #<Metabolite:0x0000561533c5e088>
C.[Co++]
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INCHI for #<Metabolite:0x0000561533c5e088>
InChI=1S/CH4.Co/h1H4;/q;+2
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SynonymsNot Available
Molecular FormulaCH4Co
Average Mass74.975
Monoisotopic Mass74.963397
IUPAC Namelambda2-cobalt(2+) ion methane
Traditional Namelambda2-cobalt(2+) ion methane
CAS Registry NumberNot Available
SMILES
C.[Co++]
InChI Identifier
InChI=1S/CH4.Co/h1H4;/q;+2
InChI KeyGIKVFPNWXHFWJE-UHFFFAOYSA-N