Record Information
Version1.0
Creation Date2016-09-30 23:00:34 UTC
Update Date2020-05-11 20:23:17 UTC
BMDB IDBMDB0002500
Secondary Accession Numbers
  • BMDB02500
Metabolite Identification
Common NameBromide
DescriptionBromide, also known as bromide 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. Bromide exists in all living organisms, ranging from bacteria to humans. Based on a literature review a significant number of articles have been published on Bromide.
Structure
Thumb
Synonyms
ValueSource
BR(-)ChEBI
BROMIDE ionChEBI
Bromine anionChEBI
BromidesMeSH
Bromine ionHMDB
Chemical FormulaBr
Average Molecular Weight79.904
Monoisotopic Molecular Weight78.918337647
IUPAC Namebromide
Traditional Namebromide
CAS Registry Number7726-95-6
SMILES
[Br-]
InChI Identifier
InChI=1S/BrH/h1H/p-1
InChI KeyCPELXLSAUQHCOX-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
StatusExpected but not Quantified
Origin
  • Endogenous
  • Exogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cytoplasm
Physical Properties
StateLiquid
Experimental Properties
PropertyValueReference
Melting Point-7.25 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility35 mg/mL at 20 °CNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP0.8ChemAxon
pKa (Strongest Acidic)-8ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity8.6 m³·mol⁻¹ChemAxon
Polarizability3.36 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, Positivesplash10-004i-9000000000-9a9766f03abaa60ab661View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004i-9000000000-9a9766f03abaa60ab661View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-9000000000-9a9766f03abaa60ab661View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-9000000000-6c7d6016a9d527bae788View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-6c7d6016a9d527bae788View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-6c7d6016a9d527bae788View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-9000000000-abb69a363cc923ebb9e1View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-abb69a363cc923ebb9e1View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-abb69a363cc923ebb9e1View in MoNA
MSMass Spectrum (Electron Ionization)splash10-03di-1900000000-7a2f3d28680a6f34d0e5View in MoNA
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
KidneyExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
LiverExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
Abnormal Concentrations
Not Available
HMDB IDHMDB0002500
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023017
KNApSAcK IDNot Available
Chemspider ID254
KEGG Compound IDC01324
BioCyc IDBR-
BiGG IDNot Available
Wikipedia LinkBromide
METLIN IDNot Available
PubChem Compound259
PDB IDNot Available
ChEBI ID15858
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available