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Record Information
Version	2.0
Creation Date	2015-06-04 15:19:26 -0600
Update Date	2015-08-05 16:22:04 -0600
Secondary Accession Numbers	ECMDB23798
Identification
Name:	Glufosinate
Description	Conjugate base of phosphinothricin arising from deprotonation of the phosphinate function
Structure	MOLSDFPDBSMILESInChI × Structure for #<Compound:0xa5cbc26c> Close
Synonyms:	(2S)-2-amino-4-(Hydroxyphosphinyl)butanoate (2S)-2-amino-4-(Hydroxyphosphinyl)butanoic acid Glufosinic acid
Chemical Formula:	C4H10NO4P
Weight:	Average: 167.101 Monoisotopic: 167.034744804
InChI Key:	IDBRULKICVRMNG-VKHMYHEASA-N
InChI:	InChI=1S/C4H10NO4P/c5-3(4(6)7)1-2-10(8)9/h3,10H,1-2,5H2,(H,6,7)(H,8,9)/t3-/m0/s1
CAS number:	51276-47-2
IUPAC Name:	(2S)-2-amino-4-(hydroxyphosphonoyl)butanoic acid
Traditional IUPAC Name:	(2S)-2-amino-4-(hydroxyphosphonoyl)butanoic acid
SMILES:	[H]P(O)(=O)CC[C@H](N)C(O)=O
Chemical Taxonomy
Description	belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
Kingdom	Organic compounds
Super Class	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Sub Class	Amino acids, peptides, and analogues
Direct Parent	L-alpha-amino acids
Alternative Parents	Fatty acids and conjugates Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organophosphorus compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Substituents	L-alpha-amino acid Fatty acid Amino acid Carboxylic acid Monocarboxylic acid or derivatives Amine Hydrocarbon derivative Organic oxide Organopnictogen compound Primary amine Organophosphorus compound Organooxygen compound Organonitrogen compound Organic oxygen compound Primary aliphatic amine Organic nitrogen compound Carbonyl group Aliphatic acyclic compound
Molecular Framework	Aliphatic acyclic compounds
External Descriptors	non-proteinogenic alpha-amino acid (CHEBI:81414 ) Amino fatty acids (C17962 )
Physical Properties
State:	Not Available
Charge:	-1
Melting point:	Not Available
Experimental Properties:	Property Value Source
Predicted Properties	Property Value Source Water Solubility 35.8 g/L ALOGPS logP -2.8 ALOGPS logP -4 ChemAxon logS -0.67 ALOGPS pKa (Strongest Acidic) 1.98 ChemAxon pKa (Strongest Basic) 9.53 ChemAxon Physiological Charge -1 ChemAxon Hydrogen Acceptor Count 5 ChemAxon Hydrogen Donor Count 3 ChemAxon Polar Surface Area 100.62 Ų ChemAxon Rotatable Bond Count 4 ChemAxon Refractivity 34.52 m³·mol⁻¹ ChemAxon Polarizability 14.15 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:	Acetyl-CoA + + Glufosinate <> Coenzyme A + N-Acetylphosphinothricin + N-Acetylphosphinothricin
SMPDB Pathways:	Not Available
KEGG Pathways:	Phosphonate and phosphinate metabolism ec00440
EcoCyc Pathways:	Not Available
Concentrations
	Not Available
Spectra
Spectra:	Spectrum Type Description Splash Key Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (TMS_4_1) - 70eV, Positive Not Available View in JSpectraViewer Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Positive splash10-0g4i-1900000000-4deded8f3429e5d523fa View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Positive splash10-05fr-4900000000-e149a4dcea842a6c7945 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Positive splash10-0a4l-9000000000-638e57263c69bf047fca View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Negative splash10-014i-1900000000-e1db6e793f28d450b5d6 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Negative splash10-0292-4900000000-fc036a35a8d3e8e4d03d View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Negative splash10-03di-9100000000-6e97ca431c77a9c06335 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 158745 Kegg ID C05042 ChemSpider ID Not Available Wikipedia ID Glufosinate BioCyc ID Not Available

Enzymes