Showing metabocard for Hydrogen Ion (MMDBc0000310)

Record Information
Version1.0
StatusDetected and Quantified
Creation Date2020-10-28 18:28:42 UTC
Update Date2024-10-17 17:15:38 UTC
Metabolite IDMMDBc0000310
Metabolite Identification
Common NameHydrogen Ion
DescriptionHydrogen ion is recommended by IUPAC as a general term for all ions of hydrogen and its isotopes. Depending on the charge of the ion, two different classes can be distinguished: positively charged ions and negatively charged ions. Under aqueous conditions found in biochemistry, hydrogen ions exist as the hydrated form hydronium, H3O+, but these are often still referred to as hydrogen ions or even protons by biochemists. [Wikipedia ])
Structure
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for #<Metabolite:0x0000562ee4874f38>


  Mrv1652309042000392D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 H   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:0x0000562ee4874f38>

HMDB0059597
     RDKit          3D
Hydrogen Ion
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 H   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:0x0000562ee4874f38>


  Mrv1652309042000392D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   1
M  END
> <DATABASE_ID>
MMDBc0000310

> <DATABASE_NAME>
MIME

> <SMILES>
[H+]

> <INCHI_IDENTIFIER>
InChI=1S/p+1

> <INCHI_KEY>
GPRLSGONYQIRFK-UHFFFAOYSA-N

> <FORMULA>
H

> <MOLECULAR_WEIGHT>
1.0079

> <EXACT_MASS>
1.007825032

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
0.5189963999999999

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hydron

> <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>
0

> <JCHEM_TRADITIONAL_IUPAC>
hydron

> <JCHEM_VEBER_RULE>
1

$$$$
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3D-SDF for #<Metabolite:0x0000562ee4874f38>

HMDB0059597
     RDKit          3D
Hydrogen Ion
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 H   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:0x0000562ee4874f38>

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+1
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END
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3D PDB for #<Metabolite:0x0000562ee4874f38>

COMPND    HMDB0059597
HETATM    1  H1  UNL     1       0.000   0.000   0.000  1.00  0.00           H1+
END
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SMILES for #<Metabolite:0x0000562ee4874f38>

[H+]
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INCHI for #<Metabolite:0x0000562ee4874f38>

InChI=1S/p+1
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Synonyms
ValueSource
H+ChEBI
H(+)ChEBI
HydronKegg
Hydrogen cationHMDB
ProtonHMDB
ProtonsMeSH
Hydrogen ionsMeSH
Ions, hydrogenMeSH
Ion, hydrogenMeSH
Molecular FormulaH
Average Mass1.0079
Monoisotopic Mass1.007825032
IUPAC Namehydron
Traditional Namehydron
CAS Registry NumberNot Available
SMILES
[H+]
InChI Identifier
InChI=1S/p+1
InChI KeyGPRLSGONYQIRFK-UHFFFAOYSA-N