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Record Information
Version4.0
StatusExpected but not Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2017-12-07 01:21:51 UTC
HMDB IDHMDB0001039
Secondary Accession Numbers
  • HMDB01039
Metabolite Identification
Common NameHydroxide
DescriptionIn chemistry, hydroxide is the most common name for the diatomic anion OH, consisting of oxygen and hydrogen atoms, usually derived from the dissociation of a base. It is one of the simplest diatomic ions known. Hydroxide ion is a kind of ligand. It donates one pair of electrons, behaving as a Lewis base. Examples include the aluminate ion [Al(OH)4]- and aurate ion [Au(OH)4]-.
Structure
Thumb
Synonyms
ValueSource
HYDROXIDE ionChEBI
OH(-)ChEBI
Hydridooxygenate(1-)HMDB
Hydrogen oxideHMDB
Hydroxide anionHMDB
Hydroxide ion(1-)HMDB
Hydroxide(1-)HMDB
HydroxyHMDB
Hydroxy anionHMDB
Hydroxy ionHMDB
HydroxylHMDB
Hydroxyl anionHMDB
Hydroxyl ionHMDB
Hydroxyl ion (OH1-)HMDB
Hydroxyl radicalHMDB
Hydroxyl radicalsHMDB
OHHMDB
OxidanideHMDB
Oxygen ion (O1-)HMDB
Water ion(1-)HMDB
Chemical FormulaHO
Average Molecular Weight17.0073
Monoisotopic Molecular Weight17.002739654
IUPAC Namehydroxide
Traditional Namehydroxide
CAS Registry Number14280-30-9
SMILES
[OH-]
InChI Identifier
InChI=1S/H2O/h1H2/p-1
InChI KeyXLYOFNOQVPJJNP-UHFFFAOYSA-M
Chemical Taxonomy
DescriptionThis compound belongs to the class of chemical entities known as non-metal hydroxides. These are inorganic non-metallic compounds containing the hydroxide group as its largest oxoanion.
KingdomChemical entities
Super ClassInorganic compounds
ClassHomogeneous non-metal compounds
Sub ClassNon-metal oxoanionic compounds
Direct ParentNon-metal hydroxides
Alternative Parents
Substituents
  • Non-metal hydroxide
  • Inorganic hydride
  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
Ontology
Disposition

Biological Location:

  Subcellular:

  Cell and elements:

Source:

Role

Biological role:

  Molecular messenger:

Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-0.65ChemAxon
pKa (Strongest Acidic)15.7ChemAxon
pKa (Strongest Basic)-1.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity13.91 m³·mol⁻¹ChemAxon
Polarizability1.19 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
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, Positivesplash10-014i-9000000000-8866e50c5f1c571c000dView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-9000000000-8866e50c5f1c571c000dView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014i-9000000000-8866e50c5f1c571c000dView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-9000000000-b337457efba80736ee4eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014i-9000000000-b337457efba80736ee4eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-014i-9000000000-b337457efba80736ee4eView in MoNA
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Mitochondria
Biofluid LocationsNot Available
Tissue LocationNot Available
PathwaysNot Available
NameSMPDB/PathwhizKEGG
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
DrugBank Metabolite IDNot Available
Phenol Explorer Compound IDNot Available
Phenol Explorer Metabolite IDNot Available
FoodDB IDFDB022386
KNApSAcK IDNot Available
Chemspider ID936
KEGG Compound IDC01328
BioCyc IDNH4OH
BiGG ID37371
Wikipedia LinkHydroxide
METLIN IDNot Available
PubChem Compound961
PDB IDOH
ChEBI ID16234
References
Synthesis ReferenceRevzin, G. E.; Lavrent'eva, V. G.; Revzina, T. V.; Kashina, N. I. Preparation of hydroxides slightly soluble in water. U.S.S.R. (1967), CODEN: URXXAF SU 196735 19670531 CAN 68:4526 AN 1968:4526
Material Safety Data Sheet (MSDS)Download (PDF)
General ReferencesNot Available