Methane (ECMDB23843) (M2MDB005079)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes (1)XML
Proteins (80)
Record Information
Version2.0
Creation Date2015-06-05 06:29:28 -0600
Update Date2015-08-05 16:22:05 -0600
Secondary Accession Numbers
  • ECMDB23843
Identification
Name:Methane
DescriptionA one-carbon compound in which the carbon is attached by single bonds to four hydrogen atoms. It is a colourless, odourless, non-toxic but flammable gas (b.p. −161°C).
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms:
  • Acticarbone
  • Adsorbit
  • Anthrasorb
  • Aquadag
  • Aroflow
  • Arogen
  • Arotone
  • Arovel
  • Arrow
  • Atlantic
  • Biogas
  • Cancarb
  • Canesorb
  • Canlub
  • Carbene
  • Carbodis
  • Carbolac
  • Carbomet
  • Carbone
  • Carbonium
  • Carbono
  • Carbosieve
  • Cecarbon
  • CH4
  • Collocarb
  • Conductex
  • Continex
  • Croflex
  • Crolac
  • Darco
  • Degussa
  • Electrographite
  • Elftex
  • Essex
  • Excelsior
  • Farbruss
  • Fecto
  • Filtrasorb
  • Fire dAMP
  • Flamruss
  • Furnal
  • Furnex
  • Gastex
  • Grafoil
  • Grosafe
  • Huber
  • Humenegro
  • Hydrodarco
  • Kohlenstoff
  • Korobon
  • Kosmink
  • Kosmobil
  • Kosmolak
  • Kosmos
  • Kosmotherm
  • Kosmovar
  • Lampblack
  • Magecol
  • Marsh gas
  • Metanex
  • Metano
  • Methan
  • Methane in gaseus STate
  • Methane in gaseus STic acid
  • Methyl hydride
  • Methylene
  • Methylidyne
  • Micronex
  • Modulex
  • Molacco
  • Neotex
  • Nuchar
  • Papyex
  • Pelletex
  • Philblack
  • Plumbago
  • Printex
  • R 50
  • Rebonex
  • Schungite
  • Sevacarb
  • Shungite
  • Spheron
  • Statex
  • Superba
  • Thermatomic
  • Thermax
  • Thermblack
  • Tinolite
  • Watercarb
Chemical Formula:CH4
Weight:Average: 16.0425
Monoisotopic: 16.031300128
InChI Key:VNWKTOKETHGBQD-UHFFFAOYSA-N
InChI:InChI=1S/CH4/h1H4
CAS number:74-82-8
IUPAC Name:methane
Traditional IUPAC Name:methane
SMILES:C
Chemical Taxonomy
Description belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
KingdomOrganic compounds
Super ClassHydrocarbons
ClassSaturated hydrocarbons
Sub ClassAlkanes
Direct ParentAlkanes
Alternative ParentsNot Available
Substituents
  • Acyclic alkane
  • Alkane
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physical Properties
State:Not Available
Charge:0
Melting point:Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility0 g/LALOGPS
logP-1.3ALOGPS
logP1.08ChemAxon
logS1.08ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity6.35 m³·mol⁻¹ChemAxon
Polarizability2.59 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations:Cytoplasm
Reactions:
alpha-D-Ribose 1-methylphosphonate 5-phosphate <> alpha-D-Ribose 1,2-cyclic phosphate 5-phosphate + Methane
alpha-D-Ribose 1-methylphosphonate 5-phosphate > Methane + alpha-D-Ribose 1,2-cyclic phosphate 5-phosphate
alpha-D-Ribose 1-methylphosphonate 5-phosphate <> alpha-D-Ribose 1,2-cyclic phosphate 5-phosphate + Methane
alpha-D-Ribose 1-methylphosphonate 5-phosphate <> alpha-D-Ribose 1,2-cyclic phosphate 5-phosphate + Methane
SMPDB Pathways:
methylphosphonate degradation IPW002065 ThumbThumb?image type=greyscaleThumb?image type=simple
KEGG Pathways:
  • Phosphonate and phosphinate metabolism ec00440
EcoCyc Pathways:Not Available
Concentrations
Not Available
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-014i-9000000000-42e2bf163f3e1178d2b7View in MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-014i-9000000000-42e2bf163f3e1178d2b7View in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-014i-9000000000-c8167f7817582bf388a4View in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableView in JSpectraViewer
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-9000000000-9d8342b86bcfe423c16eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-9000000000-9d8342b86bcfe423c16eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014i-9000000000-9d8342b86bcfe423c16eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-9000000000-c888af3d1348fef91ee6View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014i-9000000000-c888af3d1348fef91ee6View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-014i-9000000000-c888af3d1348fef91ee6View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-9000000000-996987cf9a722fe9a805View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014i-9000000000-996987cf9a722fe9a805View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-014i-9000000000-996987cf9a722fe9a805View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-9000000000-cc06d3599ff6d095d471View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-9000000000-cc06d3599ff6d095d471View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014i-9000000000-cc06d3599ff6d095d471View in MoNA
MSMass Spectrum (Electron Ionization)splash10-014i-9000000000-349ab823203cc040e2eeView in MoNA
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
References
References:Not Available
Synthesis Reference:Not Available
Material Safety Data Sheet (MSDS)Not Available
External Links:
ResourceLink
CHEBI ID16183
HMDB IDHMDB0002714
Pubchem Compound ID297
Kegg IDC01438
ChemSpider ID291
Wikipedia IDMethane
BioCyc IDNot Available

Enzymes

Protein Details
1. Alpha-D-ribose 1-methylphosphonate 5-phosphate C-P lyase
General function:
organic phosphonate catabolic process
Specific function:
Catalyzes the breakage of the C-P bond in alpha-D-ribose 1-methylphosphonate 5-phosphate (PRPn) forming alpha-D-ribose 1,2-cyclic phosphate 5-phosphate (PRcP).
Gene Name:
phnJ
Uniprot ID:
P16688
Molecular weight:
31844
Reactions
Alpha-D-ribose 1-methylphosphonate 5-phosphate = alpha-D-ribose 1,2-cyclic phosphate 5-phosphate + methane