Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	41956
Common Name:	Methylarsonite
Systematic Name:	methylarsonous acid
RefMet Name:	Methylarsonite
Synonyms:	[PubChem Synonyms]
Exact Mass:	123.9506 (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:	CH5AsO2
InChIKey:	OXBIRPQQKCQWGV-UHFFFAOYSA-N
ClassyFire superclass:	Organometallic compounds [C0000462]
ClassyFire class:	Organometalloid compounds [C0001370]
ClassyFire subclass:	Organoarsenic compounds [C0000405]
ClassyFire direct parent:	Trivalent organic arsenic compounds [C0004055]
SMILES:	C[As](O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	161491
CHEBI ID:	17826
HMDB ID:	HMDB0012259
KEGG ID:	C07295
Chemspider ID:	141846
MetaCyc ID:	METHYLARSONITE
Plant Metabolite Hub(Pmhub):	MS000019504

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