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Record Information
Version1.0
Creation Date2020-05-05 15:49:26 UTC
Update Date2020-05-05 17:22:07 UTC
BMDB IDBMDB0109664
Secondary Accession NumbersNone
Metabolite Identification
Common NameBoric acid (H3BO3)
DescriptionBoric acid (H3BO3), also known as H3BO3 or [b(OH)3], belongs to the class of inorganic compounds known as miscellaneous borates. These are inorganic compounds in which the largest metallic oxoanion is borate, to which either no atom or a non metal atom is bonded. Boric acid (H3BO3) exists in all living organisms, ranging from bacteria to humans. Based on a literature review a significant number of articles have been published on Boric acid (H3BO3).
Structure
Thumb
Synonyms
ValueSource
[b(OH)3]ChEBI
b(OH)3ChEBI
Boron trihydroxideChEBI
H3BO3ChEBI
Orthoboric acidChEBI
OrthobateGenerator
Orthobic acidGenerator
bate (H3BO3)Generator
bic acid (H3BO3)Generator
bateGenerator, HMDB
bic acidGenerator, HMDB
(10b)Orthoboric acidHMDB
1332-77-0 (Di-potassium salt)HMDB
Acidum boricumHMDB
Ant flipHMDB
Basilit bHMDB
BluboroHMDB
Boracic acidHMDB
BorateHMDB
Borate (b4O7(2-))HMDB
boric acid (BH3O3)HMDB
boric acid (H310BO3)HMDB
boric acid (JP15/nf)HMDB
boric acid, AcsHMDB
BorofaxHMDB
Boron hydroxideHMDB
Collyrium eye washHMDB
Dr.'S 1 flea terminator DFHMDB
Dr.'S 1 flea terminator dfpboHMDB
Dr.'S 1 flea terminator DTHMDB
Dr.'S 1 flea terminator dtpboHMDB
Flea prufeHMDB
Heptaoxotetra-borate(2-)HMDB
Homberg'S saltHMDB
Hydrogen orthoborateHMDB
Kill-OFFHMDB
Kjel-sorbHMDB
Orthboric acidHMDB
Orthoboric acid (b(OH)3)HMDB
Orthoboric acid (H3bo3)HMDB
Super flea eliminatorHMDB
TetraborateHMDB
Three elephantHMDB
TrihydroxidoboronHMDB
TrihydroxyboraneHMDB
TrihydroxyboroneHMDB
Boron oxide hydroxideMeSH
Chemical FormulaBH3O3
Average Molecular Weight61.833
Monoisotopic Molecular Weight62.017524428
IUPAC Nameboric acid
Traditional Nameboric acid
CAS Registry NumberNot Available
SMILES
OB(O)O
InChI Identifier
InChI=1S/BH3O3/c2-1(3)4/h2-4H
InChI KeyKGBXLFKZBHKPEV-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as miscellaneous borates. These are inorganic compounds in which the largest metallic oxoanion is borate, to which either no atom or a non metal atom is bonded.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassMiscellaneous mixed metal/non-metals
Sub ClassMiscellaneous metallic oxoanionic compounds
Direct ParentMiscellaneous borates
Alternative Parents
Substituents
  • Borate
  • Inorganic salt
  • Inorganic metalloid salt
Molecular FrameworkNot Available
External Descriptors
Ontology
StatusDetected but not Quantified
OriginNot Available
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-0.51ChemAxon
pKa (Strongest Acidic)8.7ChemAxon
pKa (Strongest Basic)-5.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area60.69 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity7.69 m³·mol⁻¹ChemAxon
Polarizability5.15 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9000000000-bbc2ef0502723cb1626eView in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-9000000000-677c9c32b74aec8966eaView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-9000000000-b1e9faff0539b871c6d2View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-9000000000-62bf52315368ab01f8d0View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-9000000000-83fb7281cdb2fa8b9902View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-9000000000-eb0715d970431bb2a1b3View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-9000000000-08dde90327520c636be4View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-9000000000-d95e5a34493d97f7c66dView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0006-9000000000-ecbfa201dcffb0305655View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-9000000000-ecbfa201dcffb0305655View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-9000000000-773da64ed7032162af7cView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-9000000000-5cedca1f65055425d197View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-9000000000-58e0888a4c1b340a5d82View in MoNA
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Semen
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
SemenDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
SemenDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
Abnormal Concentrations
Not Available
HMDB IDHMDB0035731
DrugBank IDDB11326
Phenol Explorer Compound IDNot Available
FooDB IDFDB014459
KNApSAcK IDNot Available
Chemspider ID7346
KEGG Compound IDC12486
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkBoric acid
METLIN IDNot Available
PubChem Compound7628
PDB IDNot Available
ChEBI ID33118
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available