RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136378
RefMet name	Methylarsonite
Systematic name	methylarsonous acid
Synonyms	PubChem Synonyms
Exact mass	123.950551 (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+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	CH5AsO2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	41956 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/CH5AsO2/c1-2(3)4/h3-4H,1H3
InChIKey	OXBIRPQQKCQWGV-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[As](O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organometallic compounds
Main Class	Organometallic compounds
Sub Class	Organoarsonous acids
Distribution of Methylarsonite in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting Methylarsonite
External Links
Pubchem CID	161491
ChEBI ID	17826
KEGG ID	C07295
HMDB ID	HMDB0012259
Chemspider ID	141846
MetaCyc ID	METHYLARSONITE
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)