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Record Information
Version	2.0
Creation Date	2015-09-08 17:50:00 -0600
Update Date	2015-09-14 16:46:31 -0600
Secondary Accession Numbers	ECMDB24192
Identification
Name:	4-(γ-glutamylamino)butanal
Description	4-(gamma-glutamylamino)butanal is an intermediate in putrescine degradation II pathway in E.coli. It is a substrate for the enzyme gamma-glutamyl-γ-aminobutyraldehyde dehydrogenase which catalyzes the reaction 4-(gamma-glutamylamino)butanal + NAD(P)+ + H2O -> 4-(gamma-L-glutamylamino)butanoate + NAD(P)H + 2 H+. It is also a product for enzyme gamma-glutamylputrescine oxidase which catalyzes reaction gamma-glutamyl-L-putrescine + H2O + oxygen -> 4-(gamma-glutamylamino)butanal + hydrogen peroxide + ammonium (BioCyc compound: GAMMA-GLUTAMYL-GAMMA-AMINOBUTYRALDEH).
Structure	MOLSDFPDBSMILESInChI × Structure for #<Compound:0xafe309a4> Close
Synonyms:	Not Available
Chemical Formula:	C9H15N2O4
Weight:	Average: 215.23 Monoisotopic: 215.103730551
InChI Key:	JZNLEPLZUABCSQ-UHFFFAOYSA-M
InChI:	InChI=1S/C9H16N2O4/c10-7(9(14)15)3-4-8(13)11-5-1-2-6-12/h6-7H,1-5,10H2,(H,11,13)(H,14,15)/p-1
CAS number:	Not Available
IUPAC Name:	2-amino-4-[(4-oxobutyl)carbamoyl]butanoate
Traditional IUPAC Name:	2-amino-4-[(4-oxobutyl)carbamoyl]butanoate
SMILES:	NC(CCC(=O)NCCCC=O)C([O-])=O
Chemical Taxonomy
Description	belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
Kingdom	Organic compounds
Super Class	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Sub Class	Amino acids, peptides, and analogues
Direct Parent	Alpha amino acids
Alternative Parents	Fatty acids and conjugates Alpha-hydrogen aldehydes Amino acids Monocarboxylic acids and derivatives Carboxylic acids Carboximidic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Organic anions
Substituents	Alpha-amino acid Fatty acid Alpha-hydrogen aldehyde Amino acid Monocarboxylic acid or derivatives Carboxylic acid Carboximidic acid derivative Carboximidic acid Organic nitrogen compound Organic oxygen compound Organopnictogen compound Organic oxide Hydrocarbon derivative Primary amine Organooxygen compound Organonitrogen compound Primary aliphatic amine Carbonyl group Amine Aldehyde Organic anion Aliphatic acyclic compound
Molecular Framework	Aliphatic acyclic compounds
External Descriptors	Not Available
Physical Properties
State:	Not Available
Charge:	0
Melting point:	Not Available
Experimental Properties:	Property Value Source
Predicted Properties	Property Value Source Water Solubility 34.4 g/L ALOGPS logP -1.2 ALOGPS logP -3.9 ChemAxon logS -0.83 ALOGPS pKa (Strongest Acidic) 2.3 ChemAxon pKa (Strongest Basic) 9.11 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 5 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 112.32 Ų ChemAxon Rotatable Bond Count 8 ChemAxon Refractivity 63.46 m³·mol⁻¹ ChemAxon Polarizability 21.78 ų ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule Yes ChemAxon MDDR-like Rule Yes ChemAxon
Biological Properties
Cellular Locations:	Cytoplasm
Reactions:	gamma-Glutamyl-L-putrescine + Oxygen + Water > 4-(γ-glutamylamino)butanal + Ammonium + Hydrogen peroxide 4-(γ-glutamylamino)butanal + Water + NADP > 4-(Glutamylamino) butanoate +2 Hydrogen ion + NADPH + NADPH
SMPDB Pathways:	arginine metabolism PW000790 ornithine metabolism PW000791
KEGG Pathways:	Not Available
EcoCyc Pathways:	Not Available
Concentrations
	Not Available
Spectra
Spectra:	Spectrum Type Description Splash Key Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Positive splash10-014i-4090000000-23b51e7c5cbfb8c86f34 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Positive splash10-0079-9120000000-ea8a9e81478433c7bc3e View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Positive splash10-05fr-9000000000-c440bd4cb3a3cc314bce View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Negative splash10-03di-1090000000-982239fba22b126bcfb2 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Negative splash10-03dr-9280000000-48d8ce96b82b4143df1f View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Negative splash10-05mx-9000000000-62b8b492beba3ec880d4 View in MoNA 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer
References
References:	Not Available
Synthesis Reference:	Not Available
Material Safety Data Sheet (MSDS)	Not Available
Links
External Links:	Resource Link CHEBI ID Not Available HMDB ID Not Available Pubchem Compound ID Not Available Kegg ID Not Available ChemSpider ID Not Available Wikipedia ID Not Available BioCyc ID Not Available

Enzymes