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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2006-08-13 12:51:40 UTC

Update Date

2020-02-26 21:24:59 UTC

HMDB ID

HMDB0004138

Secondary Accession Numbers

HMDB04138

Metabolite Identification

Common Name

Gold

Description

Gold is a chemical element with the symbol Au (from the Latin aurum) and atomic number 79. It is a highly sought-after precious metal which, for many centuries, has been used as money, a store of value and in jewelery. The metal occurs as nuggets or grains in rocks, underground "veins" and in alluvial deposits. It is one of the coinage metals. Gold is dense, soft, shiny and the most malleable and ductile of the known metals. Pure gold has an attractive bright yellow color. Physiologically, it exists as an ion in the body. There is increasing documentation of allergic contact dermatitis and other effects from gold jewelry, gold dental restorations, and gold implants. These effects were especially pronounced among females wearing body-piercing gold objects. One estimate of the prevalence of gold allergy worldwide is 13%, as judged by patch tests with monovalent organogold salts. Eczema of the head and neck was the most common response of individuals hypersensitive to gold, and sensitivity can last for at least several years. Ingestion of beverages containing flake gold can result in allergic-type reactions similar to those seen in gold-allergic individuals exposed to gold through dermal contact and other routes. Studies with small laboratory mammals and injected doses of colloidal gold showed increased body temperatures, accumulations in reticular cells, and dose enhancement in tumor therapy; gold implants were associated with tissue injuries. It is proposed that Au degrees toxicity to mammals is associated, in part, with formation of the more reactive Au+ and Au3+ species. Contact allergy to gold as demonstrated by patch testing is very common among patients with eczematous disease and seems to be even more frequent among patients with complaints from the oral cavity. There is a positive correlation between gold allergy and the presence of dental gold. Gold allergy is often found in patients with non-specific stomatitides as well as in those with lichenoid reactions or with only subjective symptoms from the oral cavity. The therapeutic effect of substituting other dental materials for gold alloys is conspicuous in casuistic reports but less impressive in larger patient materials. The amount of dental gold is correlated qualitatively and quantitatively to the blood level of gold and the effects if any of circulating blood gold are unknown. There is clearly a need for prospective studies in the field and gold sodium thiosulfate is considered an important item in the dental series for patch testing. (PMID: 15258315 , 12423401 ).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

View in JSmol View Stereo Labels

Synonyms

Value	Source
Au(+)	ChEBI
GOLD ion	ChEBI
Gold, ion(1+)	ChEBI
Au gold powder	HMDB
Auride	HMDB
Aurum	HMDB
Aurum metallicum	HMDB
Burnish gold	HMDB
Gold colloidal	HMDB
Gold elemental	HMDB
Gold flake	HMDB
Gold leaf	HMDB
Gold(0)	HMDB
Magnesium gold purple	HMDB
Myochrysine	HMDB
Shell gold	HMDB

Chemical Formula

Average Molecular Weight

196.9666

Monoisotopic Molecular Weight

196.966551609

IUPAC Name

gold(1+) ion

Traditional Name

gold(1+) ion

CAS Registry Number

7440-57-5

SMILES

[Au+]

InChI Identifier

InChI=1S/Au/q+1

InChI Key

ZBKIUFWVEIBQRT-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of inorganic compounds known as homogeneous transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a transition metal atom.

Kingdom

Inorganic compounds

Super Class

Homogeneous metal compounds

Class

Homogeneous transition metal compounds

Sub Class

Not Available

Direct Parent

Homogeneous transition metal compounds

Alternative Parents

Not Available

Substituents

Homogeneous transition metal

Molecular Framework

Not Available

External Descriptors

elemental gold (CHEBI:49482 )
monoatomic monocation (CHEBI:49482 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (HMDB: HMDB0004138)
Cerebrospinal Fluid (CSF) (PMID: 1641639)

Excreta

Biofluid or Excreta

Urine (HMDB: HMDB0004138)

Source

Exogenous

Exogenous (HMDB: HMDB0004138)

Food

Animal origin

Poultry

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Nut

Fruit

Tropical fruit

Coconut (FooDB: FOOD00336)

Endogenous

Endogenous (HMDB: HMDB0004138)

Process

Not Available

Role

Biological role

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	1064 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	0.03	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	0 m³·mol⁻¹	ChemAxon
Polarizability	1.78 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
AllCCS	[M+H]+	144.3	32859911
AllCCS	[M+H-H2O]+	140.9	32859911
AllCCS	[M+NH4]+	147.5	32859911
AllCCS	[M+Na]+	148.4	32859911
AllCCS	[M-H]-	196.7	32859911
AllCCS	[M+Na-2H]-	208.2	32859911
AllCCS	[M+HCOO]-	220.7	32859911

Predicted Kovats Retention Indices

Not Available

Spectra

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gold 10V, Positive-QTOF	splash10-0002-0900000000-d886ab3ee35928854b05	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gold 20V, Positive-QTOF	splash10-0002-0900000000-d886ab3ee35928854b05	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gold 40V, Positive-QTOF	splash10-0002-0900000000-d886ab3ee35928854b05	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gold 10V, Negative-QTOF	splash10-0002-0900000000-2613b750272dd2ffd73b	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gold 20V, Negative-QTOF	splash10-0002-0900000000-2613b750272dd2ffd73b	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gold 40V, Negative-QTOF	splash10-0002-0900000000-2613b750272dd2ffd73b	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gold 10V, Positive-QTOF	splash10-0002-0900000000-b94cc1be53acae74b786	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gold 20V, Positive-QTOF	splash10-0002-0900000000-b94cc1be53acae74b786	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gold 40V, Positive-QTOF	splash10-0002-0900000000-b94cc1be53acae74b786	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Cerebrospinal Fluid (CSF)
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	0.00024 +/- 0.00026 uM	Adult (>18 years old)	Both	Normal	Geigy Scientific ...	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	0.60 +/- 0.063 uM	Adult (>18 years old)	Not Specified	Normal	22546835	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	0.002 (0.0004 - 0.006) uM	Adult (>18 years old)	Both	Normal	1641639	details
Urine	Detected and Quantified	0.0000037 +/- 0.0000084 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	Geigy Scientific ... West Cadwell, N.J... Basel, Switzerlan...	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB016246

KNApSAcK ID

C00001466

Chemspider ID

102884

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Gold

METLIN ID

Not Available

PubChem Compound

114945

PDB ID

ChEBI ID

49482

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Eisler R: Mammalian sensitivity to elemental gold (Au degrees). Biol Trace Elem Res. 2004 Jul;100(1):1-18. [PubMed:15258315 ]
Moller H: Dental gold alloys and contact allergy. Contact Dermatitis. 2002 Aug;47(2):63-6. [PubMed:12423401 ]

Showing metabocard for Gold (HMDB0004138)

MOL for HMDB0004138 (Gold)

3D MOL for HMDB0004138 (Gold)

3D SDF for HMDB0004138 (Gold)

3D-SDF for HMDB0004138 (Gold)

PDB for HMDB0004138 (Gold)

3D PDB for HMDB0004138 (Gold)

SMILES for HMDB0004138 (Gold)

INCHI for HMDB0004138 (Gold)

Structure for HMDB0004138 (Gold)

3D Structure for HMDB0004138 (Gold)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

MS/MS Spectra