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Record Information
StatusExpected but not Quantified
Creation Date2006-08-16 13:52:05 UTC
Update Date2022-03-07 02:49:09 UTC
Secondary Accession Numbers
  • HMDB01362
Metabolite Identification
Common NameHydrogen
DescriptionHydrogen is a colorless, odorless, nonmetallic, tasteless, highly flammable diatomic gas with the molecular formula H2. With an atomic weight of 1.00794, hydrogen is the lightest element. Besides the common H1 isotope, hydrogen exists as the stable isotope Deuterium and the unstable, radioactive isotope Tritium. Hydrogen is the most abundant of the chemical elements, constituting roughly 75% of the universe's elemental mass. Hydrogen can form compounds with most elements and is present in water and most organic compounds. It plays a particularly important role in acid-base chemistry, in which many reactions involve the exchange of protons between soluble molecules. Oxidation of hydrogen, in the sense of removing its electron, formally gives H+, containing no electrons and a nucleus which is usually composed of one proton. That is why H+ is often called a proton. This species is central to discussion of acids. Under the Bronsted-Lowry theory, acids are proton donors, while bases are proton acceptors. A bare proton H+ cannot exist in solution because of its strong tendency to attach itself to atoms or molecules with electrons. However, the term 'proton' is used loosely to refer to positively charged or cationic hydrogen, denoted H+. H2 is a product of some types of anaerobic metabolism and is produced by several microorganisms, usually via reactions catalyzed by iron- or nickel-containing enzymes called hydrogenases. These enzymes catalyze the reversible redox reaction between H2 and its component two protons and two electrons. Creation of hydrogen gas occurs in the transfer of reducing equivalents produced during pyruvate fermentation to water. Hydrogen has been found to be a metabolite of Citrobacter, Cyanobacteria, Enterobacter, Halobacterium and Rhodobacteraceae (PMID: 28042989 ; PMID: 16371161 ) ( ( (Tao, Y; Chen, Y; Wu, Y; He, Y; Zhou, Z (2007). "High hydrogen yield from a two-step process of dark- and photo-fermentation of sucrose". International Journal of Hydrogen Energy. 32 (2): 200-206).
e 949ChEBI
Molecular hydrogenChEBI
Hydrogen gasHMDB
Hydrogen-1MeSH, HMDB
Hydrogen 1MeSH, HMDB
Chemical FormulaH2
Average Molecular Weight2.0159
Monoisotopic Molecular Weight2.015650064
IUPAC Namedihydrogen
Traditional Namedihydrogen
CAS Registry Number1333-74-0
InChI Identifier
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as other non-metal hydrides. These are inorganic compounds in which the heaviest atom bonded to a hydrogen atom is belongs to the class of 'other non-metals'.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassOther non-metal organides
Sub ClassOther non-metal hydrides
Direct ParentOther non-metal hydrides
Alternative ParentsNot Available
  • Other non-metal hydride
Molecular FrameworkNot Available
External Descriptors
Not AvailableNot Available
Physical Properties
Experimental Molecular Properties
Melting Point-259.2 °CNot Available
Boiling Point-252.77 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility0.0016 mg/mL at 21 °CNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability0.74 ųChemAxon
Number of Rings0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference

Predicted Kovats Retention Indices


MetaboliteSMILESKovats RI ValueColumn TypeReference
Hydrogen[H][H]356.5Standard polar33892256
Hydrogen[H][H]108.9Standard non polar33892256
Hydrogen[H][H]66.5Semi standard non polar33892256

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydrogen 10V, Positive-QTOFsplash10-0udi-9000000000-0595c445077141efd7ac2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydrogen 20V, Positive-QTOFsplash10-0udi-9000000000-0595c445077141efd7ac2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydrogen 40V, Positive-QTOFsplash10-0udi-9000000000-0595c445077141efd7ac2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydrogen 10V, Negative-QTOFsplash10-0udi-9000000000-cbcf030cfea82ec88da32015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydrogen 20V, Negative-QTOFsplash10-0udi-9000000000-cbcf030cfea82ec88da32015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydrogen 40V, Negative-QTOFsplash10-0udi-9000000000-cbcf030cfea82ec88da32015-09-15Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Mitochondria
  • Nucleus
  • Lysosome
  • Endoplasmic reticulum
  • Golgi apparatus
  • Peroxisome
Biospecimen LocationsNot Available
Tissue LocationsNot Available
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 IDFDB016247
KNApSAcK IDC00023091
Chemspider ID762
KEGG Compound IDC00282
BiGG ID33778
Wikipedia LinkHydrogen
METLIN IDNot Available
PubChem Compound783
PDB IDNot Available
ChEBI ID18276
Food Biomarker OntologyNot Available
MarkerDB IDNot Available
Good Scents IDrw1250851
Synthesis ReferenceAit-Ichou, I.; Formenti, M.; Pommier, B.; Teichner, S. J. Photocatalytic dehydrogenation of isopropanol on platinum/titania catalysts. Journal of Catalysis (1985), 91(2), 293-307.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Asadi N, Zilouei H: Optimization of organosolv pretreatment of rice straw for enhanced biohydrogen production using Enterobacter aerogenes. Bioresour Technol. 2017 Mar;227:335-344. doi: 10.1016/j.biortech.2016.12.073. Epub 2016 Dec 23. [PubMed:28042989 ]
  2. Dutta D, De D, Chaudhuri S, Bhattacharya SK: Hydrogen production by Cyanobacteria. Microb Cell Fact. 2005 Dec 21;4:36. doi: 10.1186/1475-2859-4-36. [PubMed:16371161 ]


General function:
Involved in ion channel activity
Specific function:
Mediates the voltage-dependent proton permeability of excitable membranes. Forms a proton-selective channel through which protons may pass in accordance with their electrochemical gradient. Proton efflux, accompanied by membrane depolarization, facilitates acute production of reactive oxygen species in phagocytosis
Gene Name:
Uniprot ID:
Molecular weight: