Showing metabocard for hydrofluoric acid (MMDBc0056515)

Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-07-07 21:51:43 UTC
Update Date2023-12-14 16:53:41 UTC
Metabolite IDMMDBc0056515
Metabolite Identification
Common Namehydrofluoric acid
Descriptionhydrofluoric acid, also known as fluoride or [HF], belongs to the class of inorganic compounds known as halogen hydrides. These are inorganic compounds in which the heaviest atom bonded to a hydrogen atom is a halogen. It is used as a chemical reagent in several industrial processes such as oil refinery. hydrofluoric acid is a weakly acidic compound (based on its pKa). hydrofluoric acid is a potentially toxic compound. Hydrofluoric acid exposure is often treated with calcium gluconate, a source of Ca2+ that sequesters the hydrofluoric acid ions. It is a general inhibitor of the energy production system of the cell.
Structure
MOLSDFPDBSMILESInChI

MOL for #<Metabolite:0x00007feca58ae488>


  Mrv0541 02241204202D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
M  END
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3D MOL for #<Metabolite:0x00007feca58ae488>

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3D SDF for #<Metabolite:0x00007feca58ae488>

  Mrv0541 02241204202D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0056515

> <DATABASE_NAME>
MIME

> <SMILES>
F

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

> <INCHI_KEY>
KRHYYFGTRYWZRS-UHFFFAOYSA-N

> <FORMULA>
FH

> <MOLECULAR_WEIGHT>
20.0063

> <EXACT_MASS>
20.006228237

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
0.7916237815811438

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hydrogen fluoride

> <JCHEM_LOGP>
0.14883863966666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.1699999999999995

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
1.6725

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
hydrogen fluoride

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for #<Metabolite:0x00007feca58ae488>
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PDB for #<Metabolite:0x00007feca58ae488>
HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  F   UNK     0       0.000   0.000   0.000  0.00  0.00           F+0
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END

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3D PDB for #<Metabolite:0x00007feca58ae488>
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SMILES for #<Metabolite:0x00007feca58ae488>
F
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INCHI for #<Metabolite:0x00007feca58ae488>
InChI=1S/FH/h1H
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Synonyms
ValueSource
[HF]ChEBI
FluorideChEBI
Fluorure d'hydrogeneChEBI
FluorwasserstoffChEBI
HFChEBI
HydrogenfluoridChEBI
Hydrogen fluorideKegg
HydrofluateGenerator
Hydrofluic acidGenerator
Hydrofluoric acidChEBI
Acid, fluorhydricMeSH
Fluohydric acidMeSH
Acid, fluohydricMeSH
Fluorhydric acidMeSH
Fluoride, hydrogenMeSH
Acid, hydrofluoricMeSH
Molecular FormulaFH
Average Mass20.0063
Monoisotopic Mass20.006228237
IUPAC Namehydrogen fluoride
Traditional Namehydrogen fluoride
CAS Registry NumberNot Available
SMILES
F
InChI Identifier
InChI=1S/FH/h1H
InChI KeyKRHYYFGTRYWZRS-UHFFFAOYSA-N