Record Information
Version1.0
Creation date2010-04-08 22:12:19 UTC
Update date2018-05-29 01:25:21 UTC
Primary IDFDB016247
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameHydrogen
DescriptionIt is used as a packaging gas [DFC]
CAS Number1333-74-0
Structure
Thumb
Synonyms
SynonymSource
e 949ChEBI
e-949ChEBI
e949ChEBI
H2ChEBI
Molecular hydrogenChEBI
Hydrogen 1HMDB
Hydrogen-1HMDB
DihydrogenHMDB
Hydrogen gasHMDB
E949db_source
Protiumdb_source
Predicted Properties
PropertyValueSource
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
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaH2
IUPAC name
InChI IdentifierInChI=1S/H2/h1H
InChI KeyUFHFLCQGNIYNRP-UHFFFAOYSA-N
Isomeric SMILES[H][H]
Average Molecular Weight2.0159
Monoisotopic Molecular Weight2.015650064
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'.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassOther non-metal organides
Sub ClassOther non-metal hydrides
Direct ParentOther non-metal hydrides
Alternative ParentsNot Available
Substituents
  • Other non-metal hydride
Molecular FrameworkNot Available
External Descriptors
Ontology
Disposition

Source:

Biological location:

Role

Biological role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateLiquid
Physical DescriptionNot Available
Mass CompositionH 100.00%DFC
Melting PointMp -259°DFC
Boiling PointBp -252.6°DFC
Experimental Water Solubility0.00162 mg/mL at 21 oCVENABLE,CS & FUWA,T (1922)
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0udi-9000000000-0595c445077141efd7acView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0udi-9000000000-0595c445077141efd7acView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0udi-9000000000-0595c445077141efd7acView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0udi-9000000000-cbcf030cfea82ec88da3View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0udi-9000000000-cbcf030cfea82ec88da3View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0udi-9000000000-cbcf030cfea82ec88da3View in MoNA
ChemSpider ID762
ChEMBL IDNot Available
KEGG Compound IDC00282
Pubchem Compound ID783
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB01362
CRC / DFC (Dictionary of Food Compounds) IDKPM76-N:KPM76-N
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG ID33778
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
Pathways
NameSMPDB LinkKEGG Link
Carnitine SynthesisSMP00465 Not Available
Catecholamine BiosynthesisSMP00012 map00350
Degradation of SuperoxidesSMP00468 Not Available
Ethanol DegradationSMP00449 Not Available
Homocysteine DegradationSMP00455 Not Available
Mitochondrial Beta-Oxidation of Long Chain Saturated Fatty AcidsSMP00482 Not Available
Mitochondrial Beta-Oxidation of Medium Chain Saturated Fatty AcidsSMP00481 Not Available
Mitochondrial Beta-Oxidation of Short Chain Saturated Fatty AcidsSMP00480 Not Available
Mitochondrial Electron Transport ChainSMP00355 map00190
Plasmalogen SynthesisSMP00479 Not Available
Pyruvaldehyde DegradationSMP00459 Not Available
Threonine and 2-Oxobutanoate DegradationSMP00452 Not Available
Transfer of Acetyl Groups into MitochondriaSMP00466 Not Available
Trehalose DegradationSMP00467 Not Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference