Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	38299
Common Name:	Glycolaldehyde
Systematic Name:	2-hydroxyacetaldehyde
RefMet Name:	Glycolaldehyde
Synonyms:	[PubChem Synonyms]
Exact Mass:	60.0211 (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:	C2H4O2
InChIKey:	WGCNASOHLSPBMP-UHFFFAOYSA-N
ClassyFire superclass:	Organic oxygen compounds [C0004603]
ClassyFire class:	Organooxygen compounds [C0000323]
ClassyFire subclass:	Carbonyl compounds [C0001831]
ClassyFire direct parent:	Short-chain aldehydes [C0002230]
NP-MRD NMR spectra:	View NMR spectra
SMILES:	C(=O)CO
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	756
CHEBI ID:	17071
HMDB ID:	HMDB0003344
KEGG ID:	C00266
Chemspider ID:	736
METLIN ID:	3205
BMRB ID:	bmse000258
MetaCyc ID:	GLYCOLALDEHYDE
NP-MRD ID(NMR):	NP0001040
Plant Metabolite Hub(Pmhub):	MS000013578

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