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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-08-16 11:23:11 UTC
Update Date2020-04-23 20:56:31 UTC
HMDB IDHMDB0000662
Secondary Accession Numbers
  • HMDB00662
Metabolite Identification
Common NameFluoride
Description
Structure
Data?1582752147
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
Physiological effectNot Available
Disposition
Biological locationSource
Process
Role
Physical Properties
StateLiquid
Experimental Molecular Properties
PropertyValueReference
Melting Point-219.61 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.0017 mg/mL at 25 °CNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular 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 FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Blood
  • Saliva
  • Urine
Tissue Locations
  • Brain
  • Kidney
  • Liver
Pathways
Normal Concentrations
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
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
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
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)Download (PDF)
General References
  1. Schaafsma A, de Vries PJ, Saris WH: Delay of natural bone loss by higher intakes of specific minerals and vitamins. Crit Rev Food Sci Nutr. 2001 May;41(4):225-49. [PubMed:11401244 ]
  2. Taylor A: Detection and monitoring of disorders of essential trace elements. Ann Clin Biochem. 1996 Nov;33 ( Pt 6):486-510. [PubMed:8937580 ]
  3. Schneider E, Bolo NR, Frederick B, Wilkinson S, Hirashima F, Nassar L, Lyoo IK, Koch P, Jones S, Hwang J, Sung Y, Villafuerte RA, Maier G, Hsu R, Hashoian R, Renshaw PF: Magnetic resonance spectroscopy for measuring the biodistribution and in situ in vivo pharmacokinetics of fluorinated compounds: validation using an investigation of liver and heart disposition of tecastemizole. J Clin Pharm Ther. 2006 Jun;31(3):261-73. [PubMed:16789992 ]
  4. Thie JA, Smith GT, Hubner KF: 2-deoxy-2-[F-18]fluoro-D-glucose-positron emission tomography sensitivity to serum glucose: a survey and diagnostic applications. Mol Imaging Biol. 2005 Sep-Oct;7(5):361-8. [PubMed:16228119 ]
  5. McGoron AJ, Mao X, Georgiou MF, Kuluz JW: Computer phantom study of brain PET glucose metabolism imaging using a rotating SPECT/PET camera. Comput Biol Med. 2005 Jul;35(6):511-31. [PubMed:15780862 ]

Enzymes

General function:
Involved in hydrolase activity
Specific function:
Cysteine hydrolase. Can convert the prodrug olmesartan medoxomil into its pharmacologically active metabolite olmerstatan, an angiotensin receptor blocker, in liver and intestine. May also activate beta-lactam antibiotics faropenem medoxomil and lenampicillin.
Gene Name:
CMBL
Uniprot ID:
Q96DG6
Molecular weight:
Not Available
Reactions
5-Fluoromuconolactone + Water → 2-Maleylacetate + Fluoridedetails
4-Fluoromuconolactone + Water → 2-Maleylacetate + Fluoridedetails