Bovine Metabolome Database: Showing metabocard for Methane (BMDB0002714)

Identification Taxonomy Physical properties Pathways Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-09-30 23:01:21 UTC

Update Date

2020-05-11 20:51:26 UTC

BMDB ID

BMDB0002714

Secondary Accession Numbers

BMDB02714

Metabolite Identification

Common Name

Methane

Description

Methane, also known as CH4 or marsh gas, 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. Methane exists in all living organisms, ranging from bacteria to humans. Based on a literature review a significant number of articles have been published on Methane.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
CH4	ChEBI
Marsh gas	ChEBI
Metano	ChEBI
Methan	ChEBI
Methyl hydride	ChEBI
Acticarbone	HMDB
Adsorbit	HMDB
Anthrasorb	HMDB
Aquadag	HMDB
Aroflow	HMDB
Arogen	HMDB
Arotone	HMDB
Arovel	HMDB
Arrow	HMDB
Atlantic	HMDB
Biogas	HMDB
Cancarb	HMDB
Canesorb	HMDB
Canlub	HMDB
Carbene	HMDB
Carbodis	HMDB
Carbolac	HMDB
Carbomet	HMDB
Carbone	HMDB
Carbonium	HMDB
Carbono	HMDB
Carbosieve	HMDB
Cecarbon	HMDB
Collocarb	HMDB
Conductex	HMDB
Continex	HMDB
Croflex	HMDB
Crolac	HMDB
Darco	HMDB
Degussa	HMDB
Electrographite	HMDB
Elftex	HMDB
Essex	HMDB
Excelsior	HMDB
Farbruss	HMDB
Fecto	HMDB
Filtrasorb	HMDB
Fire dAMP	HMDB
Flamruss	HMDB
Furnal	HMDB
Furnex	HMDB
Gastex	HMDB
Grafoil	HMDB
Grosafe	HMDB
Huber	HMDB
Humenegro	HMDB
Hydrodarco	HMDB
Kohlenstoff	HMDB
Korobon	HMDB
Kosmink	HMDB
Kosmobil	HMDB
Kosmolak	HMDB
Kosmos	HMDB
Kosmotherm	HMDB
Kosmovar	HMDB
Lampblack	HMDB
Magecol	HMDB
Metanex	HMDB
Methane in gaseus STate	HMDB
Methylene	HMDB
Methylidyne	HMDB
Micronex	HMDB
Modulex	HMDB
Molacco	HMDB
Neotex	HMDB
Nuchar	HMDB
Papyex	HMDB
Pelletex	HMDB
Philblack	HMDB
Plumbago	HMDB
Printex	HMDB
R 50	HMDB
Rebonex	HMDB
Schungite	HMDB
Sevacarb	HMDB
Shungite	HMDB
Spheron	HMDB
Statex	HMDB
Superba	HMDB
Thermatomic	HMDB
Thermax	HMDB
Thermblack	HMDB
Tinolite	HMDB
Watercarb	HMDB

Chemical Formula

CH₄

Average Molecular Weight

16.0425

Monoisotopic Molecular Weight

16.031300128

IUPAC Name

methane

Traditional Name

methane

CAS Registry Number

74-82-8

SMILES

InChI Identifier

InChI=1S/CH4/h1H4

InChI Key

VNWKTOKETHGBQD-UHFFFAOYSA-N

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.

Kingdom

Organic compounds

Super Class

Hydrocarbons

Class

Saturated hydrocarbons

Sub Class

Alkanes

Direct Parent

Alkanes

Alternative Parents

Not Available

Substituents

Acyclic alkane
Alkane
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

one-carbon compound (CHEBI:16183 )
mononuclear parent hydride (CHEBI:16183 )
alkane (CHEBI:16183 )
a simple group (METHYL-GROUP )

Ontology

Status

Expected but not Quantified

Origin

Endogenous

Exogenous

Biofunction

Not Available

Application

Not Available

Cellular locations

Cytoplasm

Physical Properties

State

Liquid

Experimental Properties

Property	Value	Reference
Melting Point	-182.4 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	0.022 mg/mL at 25 °C	Not Available
LogP	1.09	HANSCH,C ET AL. (1995)

Predicted Properties

Property	Value	Source
logP	-1.3	ALOGPS
logP	1.08	ChemAxon
logS	1.08	ALOGPS
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	6.35 m³·mol⁻¹	ChemAxon
Polarizability	2.59 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-014i-9000000000-42e2bf163f3e1178d2b7	View in MoNA
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-014i-9000000000-42e2bf163f3e1178d2b7	View in MoNA
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-014i-9000000000-c8167f7817582bf388a4	View in MoNA
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-014i-9000000000-9d8342b86bcfe423c16e	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-014i-9000000000-9d8342b86bcfe423c16e	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-014i-9000000000-9d8342b86bcfe423c16e	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-014i-9000000000-c888af3d1348fef91ee6	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-014i-9000000000-c888af3d1348fef91ee6	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-014i-9000000000-c888af3d1348fef91ee6	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-014i-9000000000-996987cf9a722fe9a805	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-014i-9000000000-996987cf9a722fe9a805	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-014i-9000000000-996987cf9a722fe9a805	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-014i-9000000000-cc06d3599ff6d095d471	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-014i-9000000000-cc06d3599ff6d095d471	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-014i-9000000000-cc06d3599ff6d095d471	View in MoNA
MS	Mass Spectrum (Electron Ionization)	splash10-014i-9000000000-349ab823203cc040e2ee	View in MoNA
1D NMR	¹H NMR Spectrum (1D, 300 MHz, CCl₄, experimental)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Adipose Tissue
Fibroblasts
Intestine
Kidney
Liver
Platelet
Skeletal Muscle

Pathways

Not Available

Name	SMPDB/Pathwhiz	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Adipose Tissue	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details
Fibroblasts	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details
Intestine	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details
Kidney	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details
Liver	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details
Platelet	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details
Skeletal Muscle	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details