Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2006-05-22 15:12:05 UTC

Update Date

2020-04-22 23:29:35 UTC

HMDB ID

HMDB0002714

Secondary Accession Numbers

HMDB02714

Metabolite Identification

Common Name

Methane

Description

Methane (CH4), is a gas produced by a group of colonic anaerobes, absorbed from the colon and excreted in expired air. As a result, breath CH4 excretion can be used as an indicator of the in situ activity of the methanogenic flora. All CH4 produced in human beings is a metabolic product of intestinal bacteria, and about 50% of CH4 produced in the gut is absorbed and excreted in expired air. Because there appears to be no catabolism of this gas by other colonic organisms or host cells, breath CH4 measurements provide a rapid, simple means of semi quantitatively assessing the ongoing in situ metabolism of the methanogenic flora. It could seem likely that the intracolonic activity of a variety of bacteria similarly might be assessed quantitatively via analysis of expired air. However, the application of this methodology has been confounded by the rapid catabolism of many volatile bacterial products by other bacteria or human tissue. A striking aspect of the studies of breath CH4 measurements is the enormous individual variations in the excretion of this gas. Virtually all children under 5 years of age and 66% of the adult population do not exhale appreciable quantities of CH4. The remaining 34% of the adult population has appreciable breath methane concentrations of up to 80 ppm (mean, 15.2 ppm; median, 11.8 ppm). On this basis the population can be divided into CH4 producers or nonproducers, although a more accurate term would be to define subjects as being low or high CH4 producers. The primary methanogen present in the human colon, Methanobrevibacter smithii, produces methane via a reaction that relies entirely on H2 produced by other organisms to reduce CO2 to CH4. Thus, breath CH4 concentrations might be expected to mirror breath H2 concentrations; however, the high levels of CH4 observed in the fasting state may result from H2 derived from endogenous rather than dietary substrates. A diverse assortment of conditions has been associated with a high prevalence of methane producers including diverticulosis, cystic fibrosis, high fasting serum cholesterol levels, encopresis in children, and aorto-iliac vascular disease, whereas obesity (measured as skin-fold thickness) was related inversely to methane production. The challenge that remains is to determine to what extent methanogens actively influence body physiology vs. simply serve as passive indicators of colonic function. (PMID: 16469670 , Clinical Gastroenterology and Hepatology Volume 4, Issue 2, February 2006, Pages 123-129). Methane can be found in Desulfovibrio, Methanobacterium, Methanobrevibacter, Methanococcus, Methanocorpusculum, Methanoculleus, Methanoflorens, Methanofollis, Methanogenium, Methanomicrobium, Methanopyrus, Methanoregula, Methanosaeta, Methanosarcina, Methanosphaera, Methanospirillium, Methanothermobacter (Wikipedia ).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

View in JSmol View NMR Assignments View Stereo Labels

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

Not Available

Adipose tissue (HMDB: HMDB0002714)

Muscle tissue

Skeletal muscle (HMDB: HMDB0002714)

Non-excretory biofluid

Biofluid or Excreta

Blood (HMDB: HMDB0002714)

Cell

Fibroblasts (HMDB: HMDB0002714)

Hematocyte

Platelet (HMDB: HMDB0002714)

Organ

Excreta

Biofluid or Excreta

Urine (HMDB: HMDB0002714)
Feces (PMID: 24811995)

Cellular substructure

Cytoplasm (HMDB: HMDB0002714)
Extracellular (HMDB: HMDB0002714)

Tissue substructure

Muscle (HMDB: HMDB0002714)

Source

Exogenous

Exogenous (HMDB: HMDB0002714)

Endogenous

Endogenous (HMDB: HMDB0002714)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Methylphosphonate Degradation I (PathBank: SMP0002077)

Role

Biological role

Bacterial metabolite (HMDB: HMDB0002714)

Environmental role

Greenhouse gas (HMDB: HMDB0002714)

Industrial application

Fossil fuel (HMDB: HMDB0002714)

Physical Properties

State

Liquid

Experimental Molecular 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)

Experimental Chromatographic Properties

Not Available

Predicted Molecular 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	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Methane	C	692.5	Standard polar	33892256
Methane	C	229.2	Standard non polar	33892256
Methane	C	68.1	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - Methane EI-B (Non-derivatized)	splash10-014i-9000000000-42e2bf163f3e1178d2b7	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Methane EI-B (Non-derivatized)	splash10-014i-9000000000-42e2bf163f3e1178d2b7	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Methane GC-MS (Non-derivatized) - 70eV, Positive	splash10-014i-9000000000-c8167f7817582bf388a4	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Methane GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Methane GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-014i-9000000000-349ab823203cc040e2ee	2014-09-20	Not Available	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methane 10V, Positive-QTOF	splash10-014i-9000000000-9d8342b86bcfe423c16e	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methane 20V, Positive-QTOF	splash10-014i-9000000000-9d8342b86bcfe423c16e	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methane 40V, Positive-QTOF	splash10-014i-9000000000-9d8342b86bcfe423c16e	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methane 10V, Negative-QTOF	splash10-014i-9000000000-c888af3d1348fef91ee6	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methane 20V, Negative-QTOF	splash10-014i-9000000000-c888af3d1348fef91ee6	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methane 40V, Negative-QTOF	splash10-014i-9000000000-c888af3d1348fef91ee6	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methane 10V, Negative-QTOF	splash10-014i-9000000000-996987cf9a722fe9a805	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methane 20V, Negative-QTOF	splash10-014i-9000000000-996987cf9a722fe9a805	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methane 40V, Negative-QTOF	splash10-014i-9000000000-996987cf9a722fe9a805	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methane 10V, Positive-QTOF	splash10-014i-9000000000-cc06d3599ff6d095d471	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methane 20V, Positive-QTOF	splash10-014i-9000000000-cc06d3599ff6d095d471	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methane 40V, Positive-QTOF	splash10-014i-9000000000-cc06d3599ff6d095d471	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Blood
Feces
Urine

Tissue Locations

Adipose Tissue
Fibroblasts
Intestine
Kidney
Liver
Platelet
Skeletal Muscle

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	24811995	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Ulcerative colitis	24811995	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Crohn's disease	24811995	details

Associated Disorders and Diseases

Disease References

Ulcerative colitis
De Preter V, Machiels K, Joossens M, Arijs I, Matthys C, Vermeire S, Rutgeerts P, Verbeke K: Faecal metabolite profiling identifies medium-chain fatty acids as discriminating compounds in IBD. Gut. 2015 Mar;64(3):447-58. doi: 10.1136/gutjnl-2013-306423. Epub 2014 May 8. [PubMed:24811995 ]
Crohn's disease
De Preter V, Machiels K, Joossens M, Arijs I, Matthys C, Vermeire S, Rutgeerts P, Verbeke K: Faecal metabolite profiling identifies medium-chain fatty acids as discriminating compounds in IBD. Gut. 2015 Mar;64(3):447-58. doi: 10.1136/gutjnl-2013-306423. Epub 2014 May 8. [PubMed:24811995 ]

Associated OMIM IDs

266600 (Crohn's disease)

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Methane

METLIN ID

3190

PubChem Compound

297

PDB ID

Not Available

ChEBI ID

16183

Food Biomarker Ontology

Not Available

VMH ID

CH4

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Tamaura, Yutaka. Method for manufacture of methane. Jpn. Kokai Tokkyo Koho (1994), 9 pp.

Material Safety Data Sheet (MSDS)

Not Available

General References

Minh NH, Someya M, Minh TB, Kunisue T, Iwata H, Watanabe M, Tanabe S, Viet PH, Tuyen BC: Persistent organochlorine residues in human breast milk from Hanoi and Hochiminh City, Vietnam: contamination, accumulation kinetics and risk assessment for infants. Environ Pollut. 2004 Jun;129(3):431-41. [PubMed:15016464 ]
Castelain P, Van Hummelen P, Deleener A, Kirsch-Volders M: Automated detection of cytochalasin-B blocked binucleated lymphocytes for scoring micronuclei. Mutagenesis. 1993 Jul;8(4):285-93. [PubMed:7690875 ]
Rumessen JJ, Gudmand-Hoyer E: Fructans of chicory: intestinal transport and fermentation of different chain lengths and relation to fructose and sorbitol malabsorption. Am J Clin Nutr. 1998 Aug;68(2):357-64. [PubMed:9701194 ]
Florin TH, Woods HJ: Inhibition of methanogenesis by human bile. Gut. 1995 Sep;37(3):418-21. [PubMed:7590441 ]
Tsai WB, Shi Q, Grunkemeier JM, McFarland C, Horbett TA: Platelet adhesion to radiofrequency glow-discharge-deposited fluorocarbon polymers preadsorbed with selectively depleted plasmas show the primary role of fibrinogen. J Biomater Sci Polym Ed. 2004;15(7):817-40. [PubMed:15318794 ]
Bernalier A, Willems A, Leclerc M, Rochet V, Collins MD: Ruminococcus hydrogenotrophicus sp. nov., a new H2/CO2-utilizing acetogenic bacterium isolated from human feces. Arch Microbiol. 1996 Sep;166(3):176-83. [PubMed:8703194 ]
Ringvoll J, Nordstrand LM, Vagbo CB, Talstad V, Reite K, Aas PA, Lauritzen KH, Liabakk NB, Bjork A, Doughty RW, Falnes PO, Krokan HE, Klungland A: Repair deficient mice reveal mABH2 as the primary oxidative demethylase for repairing 1meA and 3meC lesions in DNA. EMBO J. 2006 May 17;25(10):2189-98. Epub 2006 Apr 27. [PubMed:16642038 ]
Poyart C, Bursaux E, Freminet A, Bertin M: Interactions of short chain aliphatic hydrocarbons with human blood and haemoglobin A solutions. Biomedicine. 1976 Jul;25(6):224-7. [PubMed:963185 ]
Rabot S, Viso M, Martin F, Blanquie JP, Popot F, Bensaada M, Vaissade P, Searby N, Szylit O: Effects of chair-restraint on gastrointestinal transit time and colonic fermentation in male rhesus monkey (Macaca mulatta). J Med Primatol. 1997 Aug;26(4):190-5. [PubMed:9416569 ]
Kresimon J, Gruter UM, Hirner AV: HG/LT-GC/ICP-MS coupling for identification of metal(loid) species in human urine after fish consumption. Fresenius J Anal Chem. 2001 Nov;371(5):586-90. [PubMed:11767883 ]
Nakamura M, Ueki S, Hara H, Arata T: Calcium structural transition of human cardiac troponin C in reconstituted muscle fibres as studied by site-directed spin labelling. J Mol Biol. 2005 Apr 22;348(1):127-37. [PubMed:15808858 ]
Kayar SR, Miller TL, Wolin MJ, Aukhert EO, Axley MJ, Kiesow LA: Decompression sickness risk in rats by microbial removal of dissolved gas. Am J Physiol. 1998 Sep;275(3 Pt 2):R677-82. [PubMed:9728062 ]
Chien YH, Bau DT, Jan KY: Nitric oxide inhibits DNA-adduct excision in nucleotide excision repair. Free Radic Biol Med. 2004 Apr 15;36(8):1011-7. [PubMed:15059641 ]
Eastwood MA, Brydon WG, Anderson DM: The effects of dietary gum karaya (Sterculia) in man. Toxicol Lett. 1983 Jun;17(1-2):159-66. [PubMed:6623502 ]
Supko JG, Malspeis L: Characterization of the urinary metabolites of merbarone in cancer patients. Drug Metab Dispos. 1991 Jan-Feb;19(1):263-73. [PubMed:1673412 ]
Escobar R, Cano Pavon JM: Selective spectrophotometric determination of trace amounts of iron with di(2-pyridyl)-NN-di[(8-quinolyl)amino]methane: determination of iron in blood serum. Analyst. 1983 Jul;108(1288):821-6. [PubMed:6614500 ]
Wolever TM, Fernandes J, Rao VA, Chiasson JL, Josse RG, Leiter LA: Positive methane-producing status associated with increased serum cholesterol in subjects with impaired glucose tolerance. Diabetes Care. 1995 Jul;18(7):1010-2. [PubMed:7555532 ]
Masson P, Marnot B, Lombard JY, Morelis P: [Electrophoretic study of aged butyrylcholinesterase after inhibition by soman]. Biochimie. 1984 Mar;66(3):235-49. [PubMed:6331528 ]
Sudaryanto A, Kunisue T, Tanabe S, Niida M, Hashim H: Persistent organochlorine compounds in human breast milk from mothers living in Penang and Kedah, Malaysia. Arch Environ Contam Toxicol. 2005 Oct;49(3):429-37. Epub 2005 Aug 24. [PubMed:16132420 ]
Nagao M, Takatori T, Oono T, Iwase H, Iwadate K, Yamada Y, Nakajima M: Death due to a methane gas explosion in a tunnel on urban reclaimed land. Am J Forensic Med Pathol. 1997 Jun;18(2):135-9. [PubMed:9185928 ]
Levitt MD, Furne JK, Kuskowski M, Ruddy J: Stability of human methanogenic flora over 35 years and a review of insights obtained from breath methane measurements. Clin Gastroenterol Hepatol. 2006 Feb;4(2):123-9. [PubMed:16469670 ]

Showing metabocard for Methane (HMDB0002714)

MOL for HMDB0002714 (Methane)

3D MOL for HMDB0002714 (Methane)

3D SDF for HMDB0002714 (Methane)

3D-SDF for HMDB0002714 (Methane)

PDB for HMDB0002714 (Methane)

3D PDB for HMDB0002714 (Methane)

SMILES for HMDB0002714 (Methane)

INCHI for HMDB0002714 (Methane)

Structure for HMDB0002714 (Methane)

3D Structure for HMDB0002714 (Methane)

Predicted Kovats Retention Indices

Underivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra