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Showing metabocard for Helium (HMDB0037238)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 22:28:46 UTC
Update Date2022-03-07 02:55:14 UTC
HMDB IDHMDB0037238
Secondary Accession Numbers
  • HMDB37238
Metabolite Identification
Common NameHelium
DescriptionHelium, also known as 2HE or helio, 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. Helium is a drug which is used for use in patients who are not getting enough oxygen into their blood due to blockages in the lungs from pathological conditions or injuries. suggested potential benefit in upper airway obstruction, in severe asthma, and in exacerbations of copd/cold. helium may be used in place of carbon monoxide during laparoscopic surgeries as it lowers the risk of developing respiratory acidosis in selected patients. . Helium is an odorless tasting compound. Based on a literature review a small amount of articles have been published on Helium.
Structure
Data?1563862998
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0037238 (Helium)


  Mrv0541 02241215122D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 He  0  0  0  0  0  0  0  0  0  0  0  0
M  END
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3D MOL for HMDB0037238 (Helium)

HMDB0037238
     RDKit          3D
Helium
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 He  0  0  0  0  0 15  0  0  0  0  0  0
M  END
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3D SDF for HMDB0037238 (Helium)


  Mrv0541 02241215122D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 He  0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037238

> <DATABASE_NAME>
hmdb

> <SMILES>
[He]

> <INCHI_IDENTIFIER>
InChI=1S/He

> <INCHI_KEY>
SWQJXJOGLNCZEY-UHFFFAOYSA-N

> <FORMULA>
He

> <MOLECULAR_WEIGHT>
4.0026

> <EXACT_MASS>
4.00260325

> <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>
helium

> <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>
helium

> <JCHEM_VEBER_RULE>
1

$$$$
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3D-SDF for HMDB0037238 (Helium)

HMDB0037238
     RDKit          3D
Helium
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 He  0  0  0  0  0 15  0  0  0  0  0  0
M  END
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PDB for HMDB0037238 (Helium)

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 He   UNK     0       0.000   0.000   0.000  0.00  0.00          He+0
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END
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3D PDB for HMDB0037238 (Helium)

COMPND    HMDB0037238
HETATM    1 HE1  UNL     1       0.000   0.000   0.000  1.00  0.00          HE  
END
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SMILES for HMDB0037238 (Helium)

[He]
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INCHI for HMDB0037238 (Helium)

InChI=1S/He
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View in JSmolView Stereo Labels
Synonyms
ValueSource
2HeChEBI
HeChEBI
HelioChEBI
(3He)HeliumHMDB
Atomic heliumHMDB
e939HMDB
Helium(0)HMDB
Helium, compressedHMDB
Helium, isotope OF mass 3HMDB
Helium-3HMDB
Helium-4HMDB
O-HeliumHMDB
P-HeliumHMDB
[He]HMDB
HeliumChEBI
Helium 4MeSH
Chemical FormulaHe
Average Molecular Weight4.0026
Monoisotopic Molecular Weight4.00260325
IUPAC Namehelium
Traditional Namehelium
CAS Registry Number7440-59-7
SMILES
[He]
InChI Identifier
InChI=1S/He
InChI KeySWQJXJOGLNCZEY-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 effect
Organoleptic effect
Disposition
Biological locationSource
ProcessNot Available
Role
Industrial applicationBiological role
Physical Properties
StateLiquid
Experimental Molecular Properties
PropertyValueReference
Melting Point-272.2 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility2.5 mg/L @ 21C (exp)The Good Scents Company Information System
LogP0.28Not 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 Acid298.3 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid1037.3 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid467.3 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid205.4 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid387.4 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid252.3 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid359.6 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 Acid456.1 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)593.1 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid729.4 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid238.2 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid809.6 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid321.9 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid396.5 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate681.6 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA339.4 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water297.4 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Helium[He]695.2Standard polar33892256
Helium[He]237.8Standard non polar33892256
Helium[He]72.1Semi standard non polar33892256
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Helium 10V, Positive-QTOFsplash10-0a4i-9000000000-c9dea7a88bf1f195dda42016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Helium 20V, Positive-QTOFsplash10-0a4i-9000000000-c9dea7a88bf1f195dda42016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Helium 40V, Positive-QTOFsplash10-0a4i-9000000000-c9dea7a88bf1f195dda42016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Helium 10V, Negative-QTOFsplash10-0udi-9000000000-9dfa66cb33ce5f068d012016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Helium 20V, Negative-QTOFsplash10-0udi-9000000000-9dfa66cb33ce5f068d012016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Helium 40V, Negative-QTOFsplash10-0udi-9000000000-9dfa66cb33ce5f068d012016-08-03Wishart 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 IDDB09155
Phenol Explorer Compound IDNot Available
FooDB IDFDB016248
KNApSAcK IDC00008027
Chemspider ID22423
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkHelium
METLIN IDNot Available
PubChem Compound23987
PDB IDNot Available
ChEBI ID30217
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1249131
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Hart JL: Effects of hyperbaric helium-oxygen on the antipyretic actions of aspirin and acetaminophen in rats. Undersea Biomed Res. 1978 Mar;5(1):53-62. [PubMed:636074 ]
  2. Mouloudi E, Georgopoulos D: Treatment with aerosols in mechanically ventilated patients: is it worthwhile? Curr Opin Anaesthesiol. 2002 Feb;15(1):103-9. [PubMed:17019191 ]
  3. Koblin DD, Fang Z, Eger EI 2nd, Laster MJ, Gong D, Ionescu P, Halsey MJ, Trudell JR: Minimum alveolar concentrations of noble gases, nitrogen, and sulfur hexafluoride in rats: helium and neon as nonimmobilizers (nonanesthetics) Anesth Analg. 1998 Aug;87(2):419-24. [PubMed:9706943 ]
  4. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .