Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	63459
Common Name:	Methylselenol
Systematic Name:	methaneselenol
RefMet Name:	Methylselenol
Synonyms:	Methaneselenol; Methylselenol [PubChem Synonyms]
Exact Mass:	95.9478 (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:	CH4Se
InChIKey:	APKHDKJWSHYLEU-UHFFFAOYSA-N
ClassyFire superclass:	Organometallic compounds [C0000462]
ClassyFire class:	Organometalloid compounds [C0001370]
ClassyFire subclass:	Organoselenium compounds [C0002468]
ClassyFire direct parent:	Selenols [C0002040]
SMILES:	C[SeH]
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	6327000
CHEBI ID:	64685
HMDB ID:	HMDB0060488
Plant Metabolite Hub(Pmhub):	MS000018839

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