Showing metabocard for Fluorine (BMDB0000662)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesenzymes (1) Show 1 proteinXML
Record Information
Version1.0
Creation Date2016-09-30 22:34:30 UTC
Update Date2020-06-04 20:45:43 UTC
BMDB IDBMDB0000662
Secondary Accession Numbers
  • BMDB00662
Metabolite Identification
Common NameFluorine
DescriptionFluorine, also known as fluoride ion, belongs to the class of inorganic compounds known as homogeneous halogens. These are inorganic non-metallic compounds in which the largest atom is a nobel gas. Fluorine exists as a solid, possibly soluble (in water), and a weakly acidic compound (based on its pKa) molecule. Fluorine exists in all eukaryotes, ranging from yeast to humans. Fluorine is a potentially toxic compound.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
F(-)ChEBI
FLUORIDE ionChEBI
Fluorine anionChEBI
FluoridesHMDB
Chemical FormulaF
Average Molecular Weight18.9984
Monoisotopic Molecular Weight18.998403205
IUPAC Namefluoride
Traditional Namefluoride
CAS Registry Number7782-41-4
SMILES
[F-]
InChI Identifier
InChI=1S/FH/h1H/p-1
InChI KeyKRHYYFGTRYWZRS-UHFFFAOYSA-M
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as homogeneous halogens. These are inorganic non-metallic compounds in which the largest atom is a nobel gas.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassHomogeneous halogens
Sub ClassNot Available
Direct ParentHomogeneous halogens
Alternative ParentsNot Available
Substituents
  • Homogeneous halogen
Molecular FrameworkNot Available
External Descriptors
Ontology
StatusDetected and Quantified
OriginNot Available
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cytoplasm
Physical Properties
StateGas
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP0.15ChemAxon
pKa (Strongest Acidic)3.17ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0.87 m³·mol⁻¹ChemAxon
Polarizability0.44 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-00di-9000000000-15e49aa98d47f1ff8145View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00di-9000000000-15e49aa98d47f1ff8145View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-00di-9000000000-15e49aa98d47f1ff8145View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-9000000000-0ca435743791c1006c74View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014i-9000000000-0ca435743791c1006c74View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-014i-9000000000-0ca435743791c1006c74View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-9000000000-292905fbf11dc3acf140View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014i-9000000000-292905fbf11dc3acf140View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-014i-9000000000-292905fbf11dc3acf140View in MoNA
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Blood
  • Brain
  • Kidney
  • Liver
  • Milk
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified200 +/- 6 uMNot SpecifiedBothNormal details
BrainExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
 details
KidneyExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
 details
LiverExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
 details
MilkDetected and Quantified1.0527 uMNot SpecifiedNot Specified
Normal
    • NRC. 1989. Recomm...
 details
Abnormal Concentrations
Not Available
HMDB IDHMDB0000662
DrugBank IDDB11257
Phenol Explorer Compound IDNot Available
FooDB IDFDB004485
KNApSAcK IDNot Available
Chemspider ID26214
KEGG Compound IDC00742
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkFluorine
METLIN IDNot Available
PubChem Compound28179
PDB IDNot Available
ChEBI ID17051
References
Synthesis ReferenceLi, Rong. Electrolytic cell for manufacturing fluorine at intermediate temperature. Shiyong Xinxing Zhuanli Shuomingshu (2007), 13pp. CODEN: CNXXAR CN 2895439 Y 20070502 CAN 147:310009 AN 2007:902560
Material Safety Data Sheet (MSDS)Not Available
General References
  1. NA (1989). NRC. 1989. Recommended Dietary Allowances. 10th ed. Natl. Acad. Press, Washington, DC.. The National Academies Press.

Enzymes

Enzyme Details
1. Diphosphoinositol polyphosphate phosphohydrolase 1
General function:
Replication, recombination and repair
Specific function:
Cleaves a beta-phosphate from the diphosphate groups in PP-InsP5 (diphosphoinositol pentakisphosphate) and [PP]2-InsP4 (bisdiphosphoinositol tetrakisphosphate), suggesting that it may play a role in signal transduction. InsP6 (inositol hexakisphosphate) is not a substrate. Also able to catalyze the hydrolysis of dinucleoside oligophosphates, with Ap6A and Ap5A being the preferred substrates. The major reaction products are ADP and p4a from Ap6A and ADP and ATP from Ap5A. Also able to hydrolyze 5-phosphoribose 1-diphosphate (By similarity).
Gene Name:
NUDT3
Uniprot ID:
A2VE79
Molecular weight:
19362.0