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Showing metabocard for Argon (HMDB0037240)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 22:28:52 UTC
Update Date2022-03-07 02:55:14 UTC
HMDB IDHMDB0037240
Secondary Accession Numbers
  • HMDB37240
Metabolite Identification
Common NameArgon
DescriptionArgon, also known as [ar] or argon atom, belongs to the class of inorganic compounds known as homogeneous noble gases. These are inorganic non-metallic compounds in which the largest atom is a halogen atom. Based on a literature review a significant number of articles have been published on Argon.
Structure
Data?1563862998
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0037240 (Argon)


  Mrv0541 02241219082D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Ar  0  0  0  0  0  0  0  0  0  0  0  0
M  END
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3D MOL for HMDB0037240 (Argon)

HMDB0037240
     RDKit          3D
Argon
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Ar  0  0  0  0  0 15  0  0  0  0  0  0
M  END
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3D SDF for HMDB0037240 (Argon)


  Mrv0541 02241219082D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Ar  0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037240

> <DATABASE_NAME>
hmdb

> <SMILES>
[Ar]

> <INCHI_IDENTIFIER>
InChI=1S/Ar

> <INCHI_KEY>
XKRFYHLGVUSROY-UHFFFAOYSA-N

> <FORMULA>
Ar

> <MOLECULAR_WEIGHT>
39.948

> <EXACT_MASS>
39.962383123

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
argon

> <JCHEM_LOGP>
0

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
argon

> <JCHEM_VEBER_RULE>
1

$$$$
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3D-SDF for HMDB0037240 (Argon)

HMDB0037240
     RDKit          3D
Argon
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Ar  0  0  0  0  0 15  0  0  0  0  0  0
M  END
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PDB for HMDB0037240 (Argon)

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1 Ar   UNK     0       0.000   0.000   0.000  0.00  0.00          Ar+0
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END
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3D PDB for HMDB0037240 (Argon)

COMPND    HMDB0037240
HETATM    1 AR1  UNL     1       0.000   0.000   0.000  1.00  0.00          AR  
END
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SMILES for HMDB0037240 (Argon)

[Ar]
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INCHI for HMDB0037240 (Argon)

InChI=1S/Ar
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View in JSmolView Stereo Labels
Synonyms
ValueSource
[Ar]ChEBI
Argon atomChEBI
e 938ChEBI
e-938ChEBI
e938ChEBI
Argon(0)HMDB
ARGONChEBI
Argon-40MeSH
Argon 40MeSH
Chemical FormulaAr
Average Molecular Weight39.948
Monoisotopic Molecular Weight39.962383123
IUPAC Nameargon
Traditional Nameargon
CAS Registry Number7440-37-1
SMILES
[Ar]
InChI Identifier
InChI=1S/Ar
InChI KeyXKRFYHLGVUSROY-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as homogeneous noble gases. These are inorganic non-metallic compounds in which the largest atom is a halogen atom.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassHomogeneous noble gases
Sub ClassNot Available
Direct ParentHomogeneous noble gases
Alternative ParentsNot Available
Substituents
  • Homogeneous noble gas
Molecular FrameworkNot Available
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
Role
Biological role
Physical Properties
StateLiquid
Experimental Molecular Properties
PropertyValueReference
Melting Point-189.4 °CNot Available
Boiling Point-185.70 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water SolubilityNot AvailableNot Available
LogP0.74Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP0ChemAxon
Physiological Charge0ChemAxon
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 Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid289.4 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid926.0 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid441.2 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid197.9 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid364.1 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid230.3 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid330.1 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid417.7 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)628.8 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid684.4 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid198.7 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid751.0 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid302.7 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid373.5 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate677.7 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA377.8 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water296.2 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Argon[Ar]695.2Standard polar33892256
Argon[Ar]237.8Standard non polar33892256
Argon[Ar]72.1Semi standard non polar33892256
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Argon 10V, Positive-QTOFsplash10-0006-9000000000-460ceddb931407b8800e2016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Argon 20V, Positive-QTOFsplash10-0006-9000000000-460ceddb931407b8800e2016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Argon 40V, Positive-QTOFsplash10-0006-9000000000-460ceddb931407b8800e2016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Argon 10V, Negative-QTOFsplash10-000i-9000000000-062def55c7a7f32618472016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Argon 20V, Negative-QTOFsplash10-000i-9000000000-062def55c7a7f32618472016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Argon 40V, Negative-QTOFsplash10-000i-9000000000-062def55c7a7f32618472016-08-03Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB016250
KNApSAcK IDC00000152
Chemspider ID22407
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkArgon
METLIN IDNot Available
PubChem Compound23968
PDB IDAR
ChEBI ID49474
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1220631
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Ritchie DM, DiPalma JR, McMichael RF: Helium effect on isolated nerve activity. Arch Int Pharmacodyn Ther. 1978 Jan;231(1):57-62. [PubMed:305771 ]
  2. Audic A, Giacomoni PU: DNA nicking by ultraviolet radiation is enhanced in the presence of iron and of oxygen. Photochem Photobiol. 1993 Mar;57(3):508-12. [PubMed:8475187 ]
  3. Herbort CP, Mermoud A, Schnyder C, Pittet N: Anti-inflammatory effect of diclofenac drops after argon laser trabeculoplasty. Arch Ophthalmol. 1993 Apr;111(4):481-3. [PubMed:8470978 ]
  4. Svensson P, Arendt-Nielsen L, Bjerring P, Kaaber S: Oral mucosal analgesia quantitatively assessed by argon laser-induced thresholds and single-evoked vertex potentials. Anesth Pain Control Dent. 1993 Summer;2(3):154-61. [PubMed:8142781 ]
  5. Hernandez AD, Smith JA Jr, Jeppson KG, Terreros DA: A controlled study of the argon beam coagulator for partial nephrectomy. J Urol. 1990 May;143(5):1062-5. [PubMed:2329598 ]
  6. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .