Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	50410
Common Name:	Methane
Systematic Name:	methane;tetrahydridocarbon
RefMet Name:	Methane
Synonyms:	CH4; Methan; marsh gas; metano; methane; methyl hydride [PubChem Synonyms]
Exact Mass:	16.0313 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	CH4
InChIKey:	VNWKTOKETHGBQD-UHFFFAOYSA-N
ClassyFire superclass:	Hydrocarbons [C0002837]
ClassyFire class:	Saturated hydrocarbons [C0004474]
ClassyFire subclass:	Alkanes [C0002500]
ClassyFire direct parent:	Alkanes [C0002500]
MoNA MS spectra:	View MS spectra
SMILES:	C
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	297
CHEBI ID:	16183
HMDB ID:	HMDB0002714
MetaCyc ID:	METHYL-GROUP
EPA CompTox DB:	DTXCID705545
Plant Metabolite Hub(Pmhub):	MS000017245

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y