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Record Information
Version3.6
Creation Date2006-05-22 15:12:05 UTC
Update Date2016-02-11 01:05:46 UTC
HMDB IDHMDB02714
Secondary Accession NumbersNone
Metabolite Identification
Common NameMethane
DescriptionMethane (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).
Structure
Thumb
Synonyms
ValueSource
CH4ChEBI
Marsh gasChEBI
MetanoChEBI
MethanChEBI
Methyl hydrideChEBI
ActicarboneHMDB
AdsorbitHMDB
AnthrasorbHMDB
AquadagHMDB
AroflowHMDB
ArogenHMDB
ArotoneHMDB
ArovelHMDB
ArrowHMDB
AtlanticHMDB
BiogasHMDB
CancarbHMDB
CanesorbHMDB
CanlubHMDB
CarbeneHMDB
CarbodisHMDB
CarbolacHMDB
CarbometHMDB
CarboneHMDB
CarboniumHMDB
CarbonoHMDB
CarbosieveHMDB
CecarbonHMDB
CollocarbHMDB
ConductexHMDB
ContinexHMDB
CroflexHMDB
CrolacHMDB
DarcoHMDB
DegussaHMDB
ElectrographiteHMDB
ElftexHMDB
EssexHMDB
ExcelsiorHMDB
FarbrussHMDB
FectoHMDB
FiltrasorbHMDB
Fire dAMPHMDB
FlamrussHMDB
FurnalHMDB
FurnexHMDB
GastexHMDB
GrafoilHMDB
GrosafeHMDB
HuberHMDB
HumenegroHMDB
HydrodarcoHMDB
KohlenstoffHMDB
KorobonHMDB
KosminkHMDB
KosmobilHMDB
KosmolakHMDB
KosmosHMDB
KosmothermHMDB
KosmovarHMDB
LampblackHMDB
MagecolHMDB
MetanexHMDB
Methane in gaseus STateHMDB
MethyleneHMDB
MethylidyneHMDB
MicronexHMDB
ModulexHMDB
MolaccoHMDB
NeotexHMDB
NucharHMDB
PapyexHMDB
PelletexHMDB
PhilblackHMDB
PlumbagoHMDB
PrintexHMDB
R 50HMDB
RebonexHMDB
SchungiteHMDB
SevacarbHMDB
ShungiteHMDB
SpheronHMDB
StatexHMDB
SuperbaHMDB
ThermatomicHMDB
ThermaxHMDB
ThermblackHMDB
TinoliteHMDB
WatercarbHMDB
Chemical FormulaCH4
Average Molecular Weight16.0425
Monoisotopic Molecular Weight16.031300128
IUPAC Namemethane
Traditional Namemethane
CAS Registry Number74-82-8
SMILES
C
InChI Identifier
InChI=1S/CH4/h1H4
InChI KeyInChIKey=VNWKTOKETHGBQD-UHFFFAOYSA-N
Chemical Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as acyclic alkanes. These are acyclic hydrocarbons consisting only of n carbon atoms and m hydrogen atoms where m=2*n + 2.
KingdomOrganic compounds
Super ClassHydrocarbons
ClassAlkanes
Sub ClassAcyclic alkanes
Direct ParentAcyclic alkanes
Alternative ParentsNot Available
Substituents
  • Acyclic alkane
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
StatusExpected but not Quantified
Origin
  • Drug metabolite
  • Endogenous
  • Microbial
Biofunction
  • Osmolyte, enzyme cofactor, signalling
  • Waste products
ApplicationNot Available
Cellular locations
  • Cytoplasm
Physical Properties
StateLiquid
Experimental Properties
PropertyValueReference
Melting Point-182.4 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.022 mg/mL at 25 °CNot Available
LogP1.09HANSCH,C ET AL. (1995)
Predicted Properties
PropertyValueSource
logP1.08ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity6.35 m3·mol-1ChemAxon
Polarizability2.59 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
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
MSMass Spectrum (Electron Ionization)splash10-014i-9000000000-349ab823203cc040e2eeView in MoNA
1D NMR1H NMR SpectrumNot Available
Biological Properties
Cellular Locations
  • Cytoplasm
Biofluid Locations
  • Blood
  • Urine
Tissue Location
  • Adipose Tissue
  • Fibroblasts
  • Intestine
  • Kidney
  • Liver
  • Muscle
  • Platelet
PathwaysNot Available
Normal Concentrations
BiofluidStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot ApplicableNot AvailableNot AvailableNormal
  • Not Applicable
details
UrineExpected but not QuantifiedNot ApplicableNot AvailableNot AvailableNormal
  • Not Applicable
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
DrugBank Metabolite IDDBMET00554
Phenol Explorer Compound IDNot Available
Phenol Explorer Metabolite IDNot Available
FoodDB IDFDB023051
KNApSAcK IDNot Available
Chemspider ID291
KEGG Compound IDC01438
BioCyc IDCH4
BiGG IDNot Available
Wikipedia LinkMethane
NuGOwiki LinkHMDB02714
Metagene LinkHMDB02714
METLIN ID3190
PubChem Compound297
PDB IDCH2
ChEBI ID16183
References
Synthesis ReferenceTamaura, Yutaka. Method for manufacture of methane. Jpn. Kokai Tokkyo Koho (1994), 9 pp.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
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  3. 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. [9701194 ]
  4. Florin TH, Woods HJ: Inhibition of methanogenesis by human bile. Gut. 1995 Sep;37(3):418-21. [7590441 ]
  5. 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. [15318794 ]
  6. 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. [8703194 ]
  7. 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. [16642038 ]
  8. 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. [963185 ]
  9. 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. [9416569 ]
  10. 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. [11767883 ]
  11. 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. [15808858 ]
  12. 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. [9728062 ]
  13. 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. [15059641 ]
  14. Eastwood MA, Brydon WG, Anderson DM: The effects of dietary gum karaya (Sterculia) in man. Toxicol Lett. 1983 Jun;17(1-2):159-66. [6623502 ]
  15. Supko JG, Malspeis L: Characterization of the urinary metabolites of merbarone in cancer patients. Drug Metab Dispos. 1991 Jan-Feb;19(1):263-73. [1673412 ]
  16. 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. [6614500 ]
  17. 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. [7555532 ]
  18. Masson P, Marnot B, Lombard JY, Morelis P: [Electrophoretic study of aged butyrylcholinesterase after inhibition by soman] Biochimie. 1984 Mar;66(3):235-49. [6331528 ]
  19. 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. [16132420 ]
  20. 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. [9185928 ]
  21. 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. [16469670 ]