Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	68175
Common Name:	2-Aminoethylarsonic acid
Systematic Name:	2-aminoethylarsonic acid
RefMet Name:	2-Aminoethylarsonic acid
Synonyms:	Arsonic acid, (2-aminoethyl)-; Arsonic acid,(2-aminoethyl)- (9CI); 2-Aminoethylarsonate; ACMC-20mpon [PubChem Synonyms]
Exact Mass:	168.9720 (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:	C2H8AsNO3
InChIKey:	BWJNQNUSFBJWOA-UHFFFAOYSA-N
ClassyFire superclass:	Organometallic compounds [C0000462]
ClassyFire class:	Organometalloid compounds [C0001370]
ClassyFire subclass:	Organoarsenic compounds [C0000405]
ClassyFire direct parent:	Pentaorganoarsanes [C0004239]
SMILES:	C(CN)[As](=O)(O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	129501
CHEBI ID:	1018
KEGG ID:	C07279
EPA CompTox DB:	DTXCID1075852
Plant Metabolite Hub(Pmhub):	MS000019498

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