Metabolomics Structure Database

 
MW REGNO: 37373
Common Name:Hydroxypropionic acid
Systematic Name:3-hydroxypropanoic acid
RefMet Name:Hydroxypropionic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
90.0317 (neutral)    Calculate m/z:
Formula:C3H6O3
InChIKey:ALRHLSYJTWAHJZ-UHFFFAOYSA-N
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Hydroxy acids and derivatives [C0000472]
ClassyFire subclass:Beta hydroxy acids and derivatives [C0001713]
ClassyFire direct parent:Beta hydroxy acids and derivatives [C0001713]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:OCCC(O)=O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:68152
CHEBI ID:33404
HMDB ID:HMDB0000700
KEGG ID:C01013
Chemspider ID:61460
METLIN ID:5668
MetaCyc ID:3-HYDROXY-PROPIONATE
Natural Products Atlas ID:NP014979
NP-MRD ID(NMR):NP0001434

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

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