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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-08-13 11:32:55 UTC
Update Date2022-03-07 02:49:20 UTC
HMDB IDHMDB0004118
Secondary Accession Numbers
  • HMDB04118
Metabolite Identification
Common NameAntimony
DescriptionAntimony metal and many of its compounds have been known since ancient times, and its toxicity has periodically been a matter of comment. Antimony (stibium) is an element and a metalloid, with atomic number 51 and atomic weight 121.75. It is in Group Va of the Periodic Table along with arsenic, bismuth, nitrogen and phosphorus. Contact with antimony occurs in a variety of ways, and as it is a common element in the surface of the earth it may accompany exposures to many different materials. Antimony has been identified in at least 114 different ores, and has even been found in meteorites. A recurrent problem in assessing its toxicity industrially is that arsenic and lead are often found with it, and other toxic materials, for example sulfur dioxide, may also be produced in the course of the process, and separation of exposures may be difficult or impossible. Contact with antimony has also occurred from is use as a medicinal substance, from natural exposures, and from domestic sources. Antimony has been a constituent not only of printing-metal but also of lead acid batteries, pigments, an opacifier under glazes and enamels (the white oxide), and in the present day it has been used widely as a flame retardant in fabrics and in brake linings of motor cars. Large scale industrial production, largely of antimony oxide, began in the early 19th century. Physiologically, this metal/element exists as an ion in the body. The toxicology of antimony and its compounds is known from three sources: its medicinal use over centuries, studies of process workers in more recent times, and more recent still, studies of its presence in modern city environments and in domestic environments. Gross exposure to antimony compounds over long periods, usually the sulfide (SbS3) or the oxide (Sb2O3) has occurred in antimony miners and in antimony process workers. There have been relatively few of these, and few studies of possible symptoms have been made. Antimony sulfide imported from, at different times, China, South Africa, and South America was processed in the North-East of England from about 1870 to 2003. The process workers in North-East England have been studied at different times, notably by Sir Thomas Oliver in 1933, and by the Newcastle upon Tyne University Department of Occupational Medicine on later occasions. Studies which have been made of the working environment, and in particular of the risk of lung cancer in process workers, have underlined the high levels of exposure to antimony compounds and to other toxic materials. However, the working conditions in antimony processing have improved markedly over the last 30 years, and the workforce had been much reduced in numbers following automation of the process. Prior to the cessation of the industry in the UK it had become a white coat operation with relatively few people exposed to high concentrations of antimony. Antimony, which is normally present in domestic environments, has also been studied as a possible cause of cot death syndrome (SIDS) but extensive investigations have not confirmed this. The full importance of environmental antimony has still to be determined, and evidence of specific effects has not yet been presented. (PMID: 16307078 ).
Structure
Data?1582752299
Synonyms
ValueSource
ANTIMONY (III) ionChEBI
Antimony, ion (SB(3+))ChEBI
SB(3+)ChEBI
Antimony blackHMDB
Antimony elementHMDB
SbHMDB
StibiumHMDB
Chemical FormulaSb
Average Molecular Weight121.76
Monoisotopic Molecular Weight120.903818044
IUPAC Nameantimony(3+) ion
Traditional Nameantimony(3+) ion
CAS Registry Number7440-36-0
SMILES
[Sb+3]
InChI Identifier
InChI=1S/Sb/q+3
InChI KeyFAWGZAFXDJGWBB-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as homogeneous metalloid compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a metalloid atom.
KingdomInorganic compounds
Super ClassHomogeneous metal compounds
ClassHomogeneous metalloid compounds
Sub ClassNot Available
Direct ParentHomogeneous metalloid compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous metalloid
Molecular FrameworkNot Available
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point630 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP0.0056ChemAxon
Physiological Charge3ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+122.232859911
AllCCS[M+H-H2O]+118.732859911
AllCCS[M+NH4]+125.532859911
AllCCS[M+Na]+126.432859911
AllCCS[M-H]-169.432859911
AllCCS[M+Na-2H]-181.232859911
AllCCS[M+HCOO]-194.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Antimony[Sb+3]682.9Standard polar33892256
Antimony[Sb+3]221.2Standard non polar33892256
Antimony[Sb+3]48.5Semi standard non polar33892256
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Antimony 10V, Positive-QTOFsplash10-004i-0900000000-f838159747de83d607aa2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Antimony 20V, Positive-QTOFsplash10-004i-0900000000-f838159747de83d607aa2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Antimony 40V, Positive-QTOFsplash10-004i-0900000000-f838159747de83d607aa2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Antimony 10V, Negative-QTOFsplash10-004i-0900000000-c291a29e512d9d5b86862016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Antimony 20V, Negative-QTOFsplash10-004i-0900000000-c291a29e512d9d5b86862016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Antimony 40V, Negative-QTOFsplash10-004i-0900000000-c291a29e512d9d5b86862016-08-03Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Cerebrospinal Fluid (CSF)
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.0050-0.030 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.0038 +/- 0.002 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.0038 +/- 0.002 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified0-0.049 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.005-0.016 uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified0.002+/-0.009 (0.0007-0.003) uMAdult (>18 years old)BothNormal details
UrineDetected and Quantified0.0000529 (0.0000492-0.0000557) umol/mmol creatinineAdult (>18 years old)Not SpecifiedNormal details
UrineDetected and Quantified0.00008728 (0.0000780-0.0000975) umol/mmol creatinineChildren (1-13 years old)Not SpecifiedNormal details
UrineDetected and Quantified0.00005 +/- 0.00002 umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified0-0.008 umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified0.00007 (0.00005-0.00009) umol/mmol creatinineNot AvailableBothNormal
    • Report on Human B...
details
UrineDetected and Quantified0.00007 (0.00005-0.00010) umol/mmol creatinineAdult (>18 years old)BothNormal
    • Report on Human B...
details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.0055 +/- 0.0038 uMAdult (>18 years old)BothMultiple Sclerosis details
BloodDetected and Quantified0.0055 +/- 0.0039 uMAdult (>18 years old)Bothmultiple sclerosis details
BloodDetected and Quantified0.030 - 0.082 uMAdult (>18 years old)Not SpecifiedAntimony Exposure details
Associated Disorders and Diseases
Disease References
Multiple sclerosis
  1. Forte G, Visconti A, Santucci S, Ghazaryan A, Figa-Talamanca L, Cannoni S, Bocca B, Pino A, Violante N, Alimonti A, Salvetti M, Ristori G: Quantification of chemical elements in blood of patients affected by multiple sclerosis. Ann Ist Super Sanita. 2005;41(2):213-6. [PubMed:16244395 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB003762
KNApSAcK IDNot Available
Chemspider ID94667
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkAntimony
METLIN IDNot Available
PubChem Compound104894
PDB IDSB
ChEBI ID49867
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDMDB00013450
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. McCallum RI: Occupational exposure to antimony compounds. J Environ Monit. 2005 Dec;7(12):1245-50. Epub 2005 Oct 26. [PubMed:16307078 ]