Showing metabocard for hydrogenselenide (MMDBc0054511)

Microbial
Record Information
Version2.0
StatusDetected and Quantified
Creation Date2022-06-05 23:16:09 UTC
Update Date2025-10-07 16:08:33 UTC
Metabolite IDMMDBc0054511
Metabolite Identification
Common Namehydrogenselenide
DescriptionHydrogenselenide is a chemical compound classified as a selenide, specifically a selenium hydride. Its chemical structure consists of a selenium atom bonded to a hydrogen atom, forming H2Se. In the realm of chemistry, hydrogenselenide is significant as it can participate in various reactions, including the formation of organoselenium compounds and coordination complexes. For instance, the aluminum hydrogenselenide complex [(Me)LAl(SeH)]2(μ-Se) has been synthesized through the reaction of red selenium and (Me)LAlH2, showcasing its potential in coordination chemistry (PMID:23458274 ). In biological contexts, hydrogenselenide is involved in metabolic pathways where selenium plays a crucial role, such as in the synthesis of selenoproteins, which are essential for various cellular functions. Although the biological significance is not the focus here, the presence of hydrogenselenide in these pathways highlights its relevance in both chemistry and biology.
Structure
MOLSDFPDBSMILESInChI

MOL for #<Metabolite:0x00007fade8953150>


  Mrv1572009101515482D          

  1  0  0  0  0  0            999 V2000
   -0.3069    0.4813    0.0000 Se  0  5  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:0x00007fade8953150>

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3D SDF for #<Metabolite:0x00007fade8953150>

  Mrv1572009101515482D          

  1  0  0  0  0  0            999 V2000
   -0.3069    0.4813    0.0000 Se  0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1  -1
M  END
> <DATABASE_ID>
MMDBc0054511

> <DATABASE_NAME>
MIME

> <SMILES>
[SeH-]

> <INCHI_IDENTIFIER>
InChI=1S/H2Se/h1H2/p-1

> <INCHI_KEY>
SPVXKVOXSXTJOY-UHFFFAOYSA-M

> <FORMULA>
HSe

> <MOLECULAR_WEIGHT>
79.98

> <EXACT_MASS>
80.924896

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
2.3002719199465433

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
selanide

> <JCHEM_LOGP>
-0.17870000000000003

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.494381133381623

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
13.914900000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
selanide

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for #<Metabolite:0x00007fade8953150>
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PDB for #<Metabolite:0x00007fade8953150>
HEADER    PROTEIN                                 10-SEP-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-15         0                                  
HETATM    1 Se   UNK     0      -0.573   0.898   0.000  0.00  0.00          Se-1
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END

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3D PDB for #<Metabolite:0x00007fade8953150>
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SMILES for #<Metabolite:0x00007fade8953150>
[SeH-]
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INCHI for #<Metabolite:0x00007fade8953150>
InChI=1S/H2Se/h1H2/p-1
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Synonyms
ValueSource
HSe(-)ChEBI
HydrogenselenideChEBI
Molecular FormulaHSe
Average Mass79.98
Monoisotopic Mass80.924896
IUPAC Nameselanide
Traditional Nameselanide
CAS Registry NumberNot Available
SMILES
[SeH-]
InChI Identifier
InChI=1S/H2Se/h1H2/p-1
InChI KeySPVXKVOXSXTJOY-UHFFFAOYSA-M