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

Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 20:24:22 UTC
Update Date2022-08-12 20:09:42 UTC
Metabolite IDMMDBc0056385
Metabolite Identification
Common Namemethyl-Co(2+)
DescriptionQ27158298 belongs to the class of organic compounds known as hydrocarbon derivatives. These are derivatives of hydrocarbons obtained by substituting one or more carbon atoms by an heteroatom. They contain at least one carbon atom and heteroatom. Based on a literature review very few articles have been published on Q27158298.
Structure
MOLSDFPDBSMILESInChI

MOL for #<Metabolite:0x000055d24b110058>


  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:0x000055d24b110058>

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3D SDF for #<Metabolite:0x000055d24b110058>

  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:0x000055d24b110058>
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PDB for #<Metabolite:0x000055d24b110058>
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:0x000055d24b110058>
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SMILES for #<Metabolite:0x000055d24b110058>
C.[Co++]
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INCHI for #<Metabolite:0x000055d24b110058>
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