Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	146688
Common Name:	Aminooxyacetic acid
Systematic Name:	2-(aminooxy)acetic acid
Synonyms:	(aminooxy)acetic acid; aminoxyacetic acid; AOAA; carboxymethoxyamine; Carboxymethoxylamine [PubChem Synonyms]
Exact Mass:	91.0269 (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:	C2H5NO3
InChIKey:	NQRKYASMKDDGHT-UHFFFAOYSA-N
ClassyFire superclass:	Organic acids and derivatives [C0000264]
ClassyFire class:	Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:	Carboxylic acids [C0001205]
Massbank MS spectra:	View MS spectra
SMILES:	C(C(=O)O)ON
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	286
HMDB ID:	HMDB0248327
Drugbank ID:	DB02079
CHEMBL ID:	CHEMBL347862
Plant Metabolite Hub(Pmhub):	MS000015945

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