Showing metabocard for I(-) (MMDBc0032097)

Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 02:02:10 UTC
Update Date2024-04-30 19:54:23 UTC
Metabolite IDMMDBc0032097
Metabolite Identification
Common NameI(-)
DescriptionNULL
Structure
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for #<Metabolite:0x00007fecc41c8a28>


  Mrv0541 10301209512D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
M  END
Download

3D MOL for #<Metabolite:0x00007fecc41c8a28>

HMDB0059634
     RDKit          3D
I(-)
  2  1  0  0  0  0  0  0  0  0999 V2000
    0.8633    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8633    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
M  END
Download

3D SDF for #<Metabolite:0x00007fecc41c8a28>


  Mrv0541 10301209512D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0032097

> <DATABASE_NAME>
MIME

> <SMILES>
I

> <INCHI_IDENTIFIER>
InChI=1S/HI/h1H

> <INCHI_KEY>
XMBWDFGMSWQBCA-UHFFFAOYSA-N

> <FORMULA>
HI

> <MOLECULAR_WEIGHT>
127.9124

> <EXACT_MASS>
127.912293452

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
5.527461071279427

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hydrogen iodide

> <JCHEM_LOGP>
1.02055578

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-8.999999999999996

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
14.7462

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
hydrogen iodide

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for #<Metabolite:0x00007fecc41c8a28>

HMDB0059634
     RDKit          3D
I(-)
  2  1  0  0  0  0  0  0  0  0999 V2000
    0.8633    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8633    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
M  END
Download

PDB for #<Metabolite:0x00007fecc41c8a28>

HEADER    PROTEIN                                 30-OCT-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   30-OCT-12         0                                  
HETATM    1  I   UNK     0       0.000   0.000   0.000  0.00  0.00           I+0
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END
Download

3D PDB for #<Metabolite:0x00007fecc41c8a28>

COMPND    HMDB0059634
HETATM    1  I1  UNL     1       0.863   0.000   0.000  1.00  0.00           I  
HETATM    2  H1  UNL     1      -0.863   0.000   0.000  1.00  0.00           H  
CONECT    1    2
END
Download

SMILES for #<Metabolite:0x00007fecc41c8a28>

I
Download

INCHI for #<Metabolite:0x00007fecc41c8a28>

InChI=1S/HI/h1H
Download
Synonyms
ValueSource
[HI]ChEBI
HIChEBI
Hydriodic acidChEBI
HydrogeniodidChEBI
Hydroiodic acidChEBI
Iodure d'hydrogeneChEBI
IodwasserstoffChEBI
JodwasserstoffChEBI
WasserstoffiodidChEBI
Hydrogen iodideKegg
HydriodateGenerator
HydroiodateGenerator
Molecular FormulaHI
Average Mass127.9124
Monoisotopic Mass127.912293452
IUPAC Namehydrogen iodide
Traditional Namehydrogen iodide
CAS Registry NumberNot Available
SMILES
I
InChI Identifier
InChI=1S/HI/h1H
InChI KeyXMBWDFGMSWQBCA-UHFFFAOYSA-N