Showing metabocard for Cu(+) (MMDBc0031139)

Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 00:36:50 UTC
Update Date2022-08-31 17:58:46 UTC
Metabolite IDMMDBc0031139
Metabolite Identification
Common NameCu(+)
DescriptionThe copper (I) ion is typically found in Zn-Cu superoxide dismutase. In the SOD-catalysed dismutation of superoxide the oxidation state of copper oscillates between 1 and 2. Most soluble copper ions are Cu2+ and most Cu+ ions will disproportionate to Cu2+ ions. The disproportionation reaction only occurs with simple copper(I) ions in solution.
Structure
MOLSDFPDBSMILESInChI

MOL for #<Metabolite:0x00007f5abc3efa08>


  Mrv0541 10101211112D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Cu  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:0x00007f5abc3efa08>

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3D SDF for #<Metabolite:0x00007f5abc3efa08>

  Mrv0541 10101211112D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Cu  0  3  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   1
M  END
> <DATABASE_ID>
MMDBc0031139

> <DATABASE_NAME>
MIME

> <SMILES>
[Cu+]

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

> <INCHI_KEY>
VMQMZMRVKUZKQL-UHFFFAOYSA-N

> <FORMULA>
Cu

> <MOLECULAR_WEIGHT>
63.546

> <EXACT_MASS>
62.929601079

> <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>
λ¹-copper(1+) ion

> <JCHEM_LOGP>
0.156

> <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>
λ¹-copper(1+) ion

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for #<Metabolite:0x00007f5abc3efa08>
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PDB for #<Metabolite:0x00007f5abc3efa08>
HEADER    PROTEIN                                 10-OCT-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-OCT-12         0                                  
HETATM    1 Cu   UNK     0       0.000   0.000   0.000  0.00  0.00          Cu+1
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END

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3D PDB for #<Metabolite:0x00007f5abc3efa08>
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SMILES for #<Metabolite:0x00007f5abc3efa08>
[Cu+]
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INCHI for #<Metabolite:0x00007f5abc3efa08>
InChI=1S/Cu/q+1
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Synonyms
ValueSource
COPPER (I) ionChEBI
Copper cationChEBI
Copper(1+) ionChEBI
Copper(I) cationChEBI
Cuprous ionChEBI
Cu(+)ChEBI
Molecular FormulaCu
Average Mass63.546
Monoisotopic Mass62.929601079
IUPAC Nameλ¹-copper(1+) ion
Traditional Nameλ¹-copper(1+) ion
CAS Registry Number7440-50-8
SMILES
[Cu+]
InChI Identifier
InChI=1S/Cu/q+1
InChI KeyVMQMZMRVKUZKQL-UHFFFAOYSA-N