P. aeruginosa Metabolome Database: 2-aminoacetaldehyde (PAMDB110026)

Identification Taxonomy Physical Properties Biological Properties Spectra Concentrations Links References Enzymes Transporters

Proteins (3280)

Record Information

Version

1.0

Update Date

1/22/2018 12:54:54 PM

Metabolite ID

PAMDB110026

Identification

Name:

2-aminoacetaldehyde

Description:

An organic cation that is the conjugate acid of aminoacetaldehyde, arising from protonation of the amino group; major species at pH 7.3.

Structure

🔍MOL SDF PDB SMILES InChI View Structure

Synonyms:

aminoacetaldehyde

Chemical Formula:

C₂H₆NO

Average Molecular Weight:

60.075

Monoisotopic Molecular Weight:

60.0449388199

InChI Key:

LYIIBVSRGJSHAV-UHFFFAOYSA-O

InChI:

InChI=1S/C2H5NO/c3-1-2-4/h2H,1,3H2/p+1

CAS number:

Not Available

IUPAC Name:

2-oxoethanaminium

Traditional IUPAC Name:

Not Available

SMILES:

C([N+])[CH]=O

Chemical Taxonomy

Taxonomy Description

This compound belongs to the class of organic compounds known as organonitrogen compounds. These are organic compounds containing a nitrogen atom.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Not Available

Direct Parent

Organonitrogen compounds

Alternative Parents

Substituents

Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Aldehyde
Organic cation
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Physical Properties

State:

Not Available

Charge:

Melting point:

Not Available

Experimental Properties:

Not Available

Predicted Properties

Property	Value	Source
3D Conformer	18706033	PubChem
Molecular Weight	60.076 g/mol	PubChem
XLogP3-AA	-1.2	PubChem
Hydrogen Bond Donor Count	1	PubChem
Hydrogen Bond Acceptor Count	1	PubChem
Rotatable Bond Count	1	PubChem
Exact Mass	60.045 g/mol	PubChem
Monoisotopic Mass	60.045 g/mol	PubChem
Topological Polar Surface Area	44.7 A^2	PubChem
Heavy Atom Count	4	PubChem
Formal Charge	1	PubChem
Complexity	20	PubChem
Isotope Atom Count	0	PubChem
Defined Atom Stereocenter Count	0	PubChem
Undefined Atom Stereocenter Count	0	PubChem
Defined Bond Stereocenter Count	0	PubChem
Undefined Bond Stereocenter Count	0	PubChem
Covalently-Bonded Unit Count	1	PubChem

Biological Properties

Cellular Locations:

Not Available

Reactions:

Pathways:

taurine degradation IVPWY0-981

Spectra

Spectra:

Not Available

References

References:

Not Available

Synthesis Reference:

Not Available

Material Safety Data Sheet (MSDS)

Not Available

Links

External Links:

Resource	Link
ChEBI	58213
IAF1260	48971
KEGG	C06735
PubChem	18706033

2-aminoacetaldehyde (PAMDB110026)

Structure for 2-aminoacetaldehyde (PAMDB110026)