Showing Compound Hydrogen (FDB016247)

Record Information

Version

1.0

Creation date

2010-04-08 22:12:19 UTC

Update date

2024-11-29 22:28:12 UTC

Primary ID

FDB016247

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Hydrogen

Description

Hydrogen, also known as H2 or e 949, 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'. Hydrogen exists in all living species, ranging from bacteria to plants to humans. Hydrogen has been detected, but not quantified in, several different foods, such as hibiscus teas (Hibiscus sabbariffa), jujubes (Ziziphus zizyphus), chives (Allium schoenoprasum), daikon radishes (Raphanus sativus var. longipinnatus), and castanospermum australes (Castanospermum australe). This could make hydrogen a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Hydrogen.

CAS Number

1333-74-0

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
e 949	ChEBI
e-949	ChEBI
e949	ChEBI
H2	ChEBI
Molecular hydrogen	ChEBI
Dihydrogen	HMDB
Hydrogen gas	HMDB
Hydrogen-1	MeSH, HMDB
Hydrogen 1	MeSH, HMDB
E949	db_source
Protium	db_source

Predicted Properties

Property	Value	Source
Physiological Charge	0	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	0.74 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Chemical Formula

IUPAC name

dihydrogen

InChI Identifier

InChI=1S/H2/h1H

InChI Key

UFHFLCQGNIYNRP-UHFFFAOYSA-N

Isomeric SMILES

[H][H]

Average Molecular Weight

2.0159

Monoisotopic Molecular Weight

2.015650064

Classification

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'.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Other non-metal organides

Sub Class

Other non-metal hydrides

Direct Parent

Other non-metal hydrides

Alternative Parents

Not Available

Substituents

Other non-metal hydride

Molecular Framework

Not Available

External Descriptors

elemental hydrogen (CHEBI:18276 )
elemental molecule (CHEBI:18276 )
a small molecule (HYDROGEN-MOLECULE )

Ontology

Disposition

Source:

Endogenous

Biological:

Microbe:

Cyanobacteria

Rhodobacteraceae:

Rhodobacter sphaeroides

Halobacterium:

Halobacterium salinarum

Citrobacter:

Citrobacter intermediuns

Enterobacter:

Enterobacter aerogenes

Biological location:

Subcellular:

Cell and elements:

Extracellular

Role

Biological role:

Osmolyte

Molecular messenger:

Signaling molecule

Physico-Chemical Properties

Physico-Chemical Properties - Experimental

Property	Value	Reference
Physical state	Liquid
Physical Description	Not Available
Mass Composition	H 100.00%	DFC
Melting Point	Mp -259°	DFC
Boiling Point	Bp -252.6°	DFC
Experimental Water Solubility	0.00162 mg/mL at 21 oC	VENABLE,CS & FUWA,T (1922)
Experimental logP	Not Available
Experimental pKa	Not Available
Isoelectric point	Not Available
Charge	Not Available
Optical Rotation	Not Available
Spectroscopic UV Data	Not Available
Density	Not Available
Refractive Index	Not Available

Spectra

EI-MS/GC-MS

Not Available

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-9000000000-0595c445077141efd7ac	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udi-9000000000-0595c445077141efd7ac	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0udi-9000000000-0595c445077141efd7ac	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0udi-9000000000-cbcf030cfea82ec88da3	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0udi-9000000000-cbcf030cfea82ec88da3	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0udi-9000000000-cbcf030cfea82ec88da3	2015-09-15	View Spectrum

NMR

Not Available

External Links

ChemSpider ID

762

ChEMBL ID

Not Available

KEGG Compound ID

C00282

Pubchem Compound ID

783

Pubchem Substance ID

Not Available

ChEBI ID

Not Available

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

HMDB01362

CRC / DFC (Dictionary of Food Compounds) ID

KPM76-N:KPM76-N

EAFUS ID

Not Available

Dr. Duke ID

Not Available

BIGG ID

33778

KNApSAcK ID

Not Available

HET ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

Not Available

SuperScent ID

Not Available

Wikipedia ID

Not Available

Phenol-Explorer Metabolite ID

Not Available

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

Food	Content Range	Average	Reference
Food			Reference

Biological Effects and Interactions

Health Effects / Bioactivities

Not Available

Enzymes

Not Available

Pathways

Name	SMPDB Link	KEGG Link
Carnitine Synthesis	SMP00465	Not Available
Catecholamine Biosynthesis	SMP00012	map00350
Degradation of Superoxides	SMP00468	Not Available
Ethanol Degradation	SMP00449	Not Available
Homocysteine Degradation	SMP00455	Not Available
Mitochondrial Beta-Oxidation of Long Chain Saturated Fatty Acids	SMP00482	Not Available
Mitochondrial Beta-Oxidation of Medium Chain Saturated Fatty Acids	SMP00481	Not Available
Mitochondrial Beta-Oxidation of Short Chain Saturated Fatty Acids	SMP00480	Not Available
Mitochondrial Electron Transport Chain	SMP00355	map00190
Plasmalogen Synthesis	SMP00479	Not Available
Pyruvaldehyde Degradation	SMP00459	Not Available
Threonine and 2-Oxobutanoate Degradation	SMP00452	Not Available
Transfer of Acetyl Groups into Mitochondria	SMP00466	Not Available
Trehalose Degradation	SMP00467	Not Available
Metabolism and Physiological Effects of 1-Methylhistidine	SMP0126760	Not Available
Metabolism and Physiological Effects of N-Acetyl-3-Methylhistidine	SMP0126795	Not Available
Metabolism and Physiological Effects of N-Acetyl-1-Methylhistidine	SMP0126802	Not Available
Metabolism and Physiological Effects of O-Sulfotyrosine	SMP0126811	Not Available
Metabolism and Physiological Effects of Tiglylglycine	SMP0126840	Not Available
Metabolism and Physiological Effects of Phenol sulphate	SMP0126844	Not Available
Metabolism and Physiological Effects of p-Cresol sulphate	SMP0126850	Not Available
Metabolism and Physiological Effects of Phenylacetylglycine	SMP0126858	Not Available
Metabolism and Physiological Effects of Citrulline	SMP0126861	Not Available
Metabolism and Physiological Effects of 2-Aminobenzoic acid	SMP0126869	Not Available
Metabolism and Physiological Effects of Vanillic Acid	SMP0126881	Not Available
Metabolism and Physiological Effects of β-Hydroxybutyric acid	SMP0126987	Not Available
Metabolism and Physiological Effects of Androsterone sulfate	SMP0127012	Not Available
Metabolism and Physiological Effects of S-Adenosylhomocysteine	SMP0127690	Not Available