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Details

Stereochemistry ACHIRAL
Molecular Formula CH4
Molecular Weight 16.0425
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHANE

SMILES

C

InChI

InChIKey=VNWKTOKETHGBQD-UHFFFAOYSA-N
InChI=1S/CH4/h1H4

HIDE SMILES / InChI

Molecular Formula CH4
Molecular Weight 16.0425
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/18694645

Biologically, methanogens in the colon can use carbon dioxide and hydrogen to produce methane as a by-product. It was previously considered that humans do not utilize methane. However, in a recent study on rodents, results demonstrated that methane could exert anti-inflammatory, anti-oxidant and anti-apoptotic effects. Furthermore, it has bee suggested, that methane-rich saline could be a promising therapeutic agent for clinical treatment of pancreatitis. Methane gas may also be a promising option for the clinical treatment of Acute Lung Injury and Spinal Cord Injury. The exact mechanism underlying the antioxidative, anti-inflammatory, and antiapoptotic activities of methane is not obvious. Different researchers have proposed different hypotheses. Some have hypothesized that methane might accumulate transiently at the interfaces of cell membranes, thereby changing the physicochemical properties or the in-situ functionality of proteins embedded within this environment. Other investigators have suggested that methane could exert effects on membrane channels affecting G-proteins, membrane or receptor-mediated signaling, or acetylcholine-activated ion channel kinetics. It is unknown if mammalian cells contain an oxygenase that is capable of using methane as a substrate, or if the biological effects of methane are caused by the formation of small amounts of the reactive alcohol, methanol, and/or changes in the redox milieu of the cell due to changes in NAD(P)+/NAD(P)H ratio, and whether or not there is a cellular “receptor” for methane. There are also questions remaining around the difference between intraperitoneal vs inhaled administration of methane.

Approval Year

Targets

Targets

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
Preventing
Unknown

Approved Use

Unknown
Primary
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Diesel and biodiesels induce hepatic palmitoyl-CoA oxidase enzymatic activity through different molecular mechanisms in rats.
2012-06
Autoxidation of platinum(IV) hydrocarbyl hydride complexes to form platinum(IV) hydrocarbyl hydroperoxide complexes.
2009-02-16
Potent CCR4 antagonists: synthesis, evaluation, and docking study of 2,4-diaminoquinazolines.
2008-09-01
Discovery of potent CCR4 antagonists: Synthesis and structure-activity relationship study of 2,4-diaminoquinazolines.
2008-07-15
Infrared spectrum and bonding in uranium methylidene dihydride, CH2=UH2.
2007-06-11
Repair deficient mice reveal mABH2 as the primary oxidative demethylase for repairing 1meA and 3meC lesions in DNA.
2006-05-17
Methane activation by laser-ablated V, Nb, and Ta atoms: Formation of CH3-MH, CH2=MH2, CHMH3-, and (CH3)2MH2.
2006-03-23
Infrared spectra of CH3-CrH, CH3-WH, CH2=WH2, and CH[triple bond]WH3 formed by activation of CH4 with Cr and W atoms.
2005-10-17
Persistent organochlorine compounds in human breast milk from mothers living in Penang and Kedah, Malaysia.
2005-10
Infrared spectrum and structure of CH2=ThH2.
2005-08-11
Infrared spectra of CH(3)-MoH, CH(2)=MoH(2), and CH(triple bond)MoH(3) formed by activation of CH(4) by molybdenum atoms.
2005-06-08
Calcium structural transition of human cardiac troponin C in reconstituted muscle fibres as studied by site-directed spin labelling.
2005-04-22
Selective oxidation of methane to methanol catalyzed, with C-H activation, by homogeneous, cationic gold.
2004-09-06
Persistent organochlorine residues in human breast milk from Hanoi and Hochiminh City, Vietnam: contamination, accumulation kinetics and risk assessment for infants.
2004-06
Nitric oxide inhibits DNA-adduct excision in nucleotide excision repair.
2004-04-15
Interactions of D2O with methane and fluoromethane surfaces.
2004-03-22
Attenuation of methane and volatile organic compounds in landfill soil covers.
2004-02-18
Platelet adhesion to radiofrequency glow-discharge-deposited fluorocarbon polymers preadsorbed with selectively depleted plasmas show the primary role of fibrinogen.
2004
HG/LT-GC/ICP-MS coupling for identification of metal(loid) species in human urine after fish consumption.
2001-11
Identification of an extracellular agent [correction of catalyst] of carbon tetrachloride dehalogenation from Pseudomonas stutzeri strain KC as pyridine-2, 6-bis(thiocarboxylate)
1999-08-11
Decompression sickness risk in rats by microbial removal of dissolved gas.
1998-09
Fructans of chicory: intestinal transport and fermentation of different chain lengths and relation to fructose and sorbitol malabsorption.
1998-08
Crystal structure of methyl-coenzyme M reductase: the key enzyme of biological methane formation.
1997-11-21
Effects of chair-restraint on gastrointestinal transit time and colonic fermentation in male rhesus monkey (Macaca mulatta).
1997-08
Death due to a methane gas explosion in a tunnel on urban reclaimed land.
1997-06
Ruminococcus hydrogenotrophicus sp. nov., a new H2/CO2-utilizing acetogenic bacterium isolated from human feces.
1996-09
Inhibition of methanogenesis by human bile.
1995-09
Positive methane-producing status associated with increased serum cholesterol in subjects with impaired glucose tolerance.
1995-07
Crystal structure of a bacterial non-haem iron hydroxylase that catalyses the biological oxidation of methane.
1993-12-09
Automated detection of cytochalasin-B blocked binucleated lymphocytes for scoring micronuclei.
1993-07
Characterization of the urinary metabolites of merbarone in cancer patients.
1991-01-01
[Electrophoretic study of aged butyrylcholinesterase after inhibition by soman].
1984-03
Selective spectrophotometric determination of trace amounts of iron with di(2-pyridyl)-NN-di[(8-quinolyl)amino]methane: determination of iron in blood serum.
1983-07
The effects of dietary gum karaya (Sterculia) in man.
1983-06
Interactions of short chain aliphatic hydrocarbons with human blood and haemoglobin A solutions.
1976-07
Metabolism of n-propylamine, isopropylamine, and 1,3-propane diamine by Mycobacterium convolutum.
1975-10
Patents

Sample Use Guides

In Vivo Use Guide
Curator's Comment: In vivo development of the compound was suspended due to relatively poor metabolic stability in HLM with CLint value 17,377 mL/h/kg
Unknown
Route of Administration: Unknown
Activity of C021 in a chemotaxis assay was performed using 96-well chemotaxis chambers. The chambers were incubated for 3h at 37°C in a humidified 5% CO2 atmosphere. Human CCR4-expressing cells were suspended and treated with various concentration of C021. The The number of cells migrating to the lowe chambers was quantified using a bioluminescent assay ATP-Lite. C021 inhibited chemotaxis in CCR4-expressing cells with IC50 of 0.14 uM.
Substance Class Chemical
Created
by admin
on Mon Mar 31 17:36:21 GMT 2025
Edited
by admin
on Mon Mar 31 17:36:21 GMT 2025
Record UNII
OP0UW79H66
Record Status Validated (UNII)
Record Version
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Name Type Language
METHANE [HSDB]
Preferred Name English
METHANE
HSDB   MI  
Systematic Name English
METHANE [EP MONOGRAPH]
Common Name English
Methane [WHO-DD]
Common Name English
METHANE [MI]
Common Name English
Code System Code Type Description
FDA UNII
OP0UW79H66
Created by admin on Mon Mar 31 17:36:21 GMT 2025 , Edited by admin on Mon Mar 31 17:36:21 GMT 2025
PRIMARY
MERCK INDEX
m7294
Created by admin on Mon Mar 31 17:36:21 GMT 2025 , Edited by admin on Mon Mar 31 17:36:21 GMT 2025
PRIMARY Merck Index
MESH
D008697
Created by admin on Mon Mar 31 17:36:21 GMT 2025 , Edited by admin on Mon Mar 31 17:36:21 GMT 2025
PRIMARY
SMS_ID
100000115930
Created by admin on Mon Mar 31 17:36:21 GMT 2025 , Edited by admin on Mon Mar 31 17:36:21 GMT 2025
PRIMARY
CAS
74-82-8
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PRIMARY
RXCUI
2598120
Created by admin on Mon Mar 31 17:36:21 GMT 2025 , Edited by admin on Mon Mar 31 17:36:21 GMT 2025
PRIMARY
CHEBI
16183
Created by admin on Mon Mar 31 17:36:21 GMT 2025 , Edited by admin on Mon Mar 31 17:36:21 GMT 2025
PRIMARY
ECHA (EC/EINECS)
200-812-7
Created by admin on Mon Mar 31 17:36:21 GMT 2025 , Edited by admin on Mon Mar 31 17:36:21 GMT 2025
PRIMARY
PUBCHEM
297
Created by admin on Mon Mar 31 17:36:21 GMT 2025 , Edited by admin on Mon Mar 31 17:36:21 GMT 2025
PRIMARY
EPA CompTox
DTXSID8025545
Created by admin on Mon Mar 31 17:36:21 GMT 2025 , Edited by admin on Mon Mar 31 17:36:21 GMT 2025
PRIMARY
HSDB
167
Created by admin on Mon Mar 31 17:36:21 GMT 2025 , Edited by admin on Mon Mar 31 17:36:21 GMT 2025
PRIMARY
EVMPD
SUB31368
Created by admin on Mon Mar 31 17:36:21 GMT 2025 , Edited by admin on Mon Mar 31 17:36:21 GMT 2025
PRIMARY
DAILYMED
OP0UW79H66
Created by admin on Mon Mar 31 17:36:21 GMT 2025 , Edited by admin on Mon Mar 31 17:36:21 GMT 2025
PRIMARY
WIKIPEDIA
METHANE
Created by admin on Mon Mar 31 17:36:21 GMT 2025 , Edited by admin on Mon Mar 31 17:36:21 GMT 2025
PRIMARY