Metabolomics Structure Database

MW REGNO: 37603
Common Name:3-Aminopropionaldehyde
Systematic Name:3-aminopropanal
RefMet Name:3-Aminopropionaldehyde
Synonyms: [PubChem Synonyms]
Exact Mass:
73.0528 (neutral)    Calculate m/z:
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Carbonyl compounds [C0001831]
ClassyFire direct parent:Alpha-hydrogen aldehydes [C0002434]
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:75
CHEBI ID:18090
KEGG ID:C05665
Chemspider ID:74
MetaCyc ID:CPD-6082
EPA CompTox DB:DTXCID30111193
Plant Metabolite Hub(Pmhub):MS000018819

Calculated physicochemical properties (?):

Heavy Atoms: 5  
Rings: 0  
Aromatic Rings: 0  
Rotatable Bonds: 2  
van der Waals Molecular volume: 77.61 Å3 molecule-1  
Toplogical Polar Sufrace Area: 43.09 Å2 molecule-1  
Hydrogen Bond Donors: 1  
Hydrogen Bond Acceptors: 1  
logP: -0.18  
Molar Refractivity: 20.23  
Fraction sp3 Carbons: 0.67  
sp3 Carbons: 2  

Human Pathway links:

HMDB and KEGG pathways containing this metabolite

REACTOME pathways containing this metabolite


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