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Record Information
Version	2.0
Creation Date	2012-10-10 12:13:56 -0600
Update Date	2015-06-03 17:25:48 -0600
Secondary Accession Numbers	ECMDB23046
Identification
Name:	N-Acetyl-5-glutamyl phosphate
Description	N-Acetyl-5-glutamyl phosphate is an intermediate in arginine biosynthesis. It is a substrate for the enzyme N-acetyl-gamma-glutamyl-phosphate reductase which catalyzes the reaction N-acetyl-L-glutamate 5-semialdehyde + NADP+ + phosphate = N-acetyl-5-glutamyl phosphate + NADPH
Structure	MOLSDFPDBSMILESInChI × Structure for #<Compound:0xa95d7ec0> Close
Synonyms:	(2S)-2-acetamido-5-oxo-5-(phosphonooxy)pentanoate (2S)-2-acetamido-5-oxo-5-(phosphonooxy)pentanoic acid 2-acetamido-5-oxo-5-Phosphonooxypentanoate 2-acetamido-5-oxo-5-phosphonooxypentanoic acid N-acetyl-5-glutamyl phosphate N-acetyl-glutamyl-P N-acetyl-L-glutamate-5-phosphate N-acetylglutamyl-P N-Acetyl-5-glutamyl phosphoric acid n-Acetyl-5-glutamyl phosphoric acid N-acetyl-5-oxo-5-(phosphonooxy)-L-norvaline N-Acetyl-g-L-glutamyl phosphate N-Acetyl-g-L-glutamyl phosphoric acid N-acetyl-gamma-l-glutamyl phosphate N-Acetyl-gamma-L-glutamyl phosphoric acid n-Acetyl-glutamyl-P N-acetyl-L-glutamate 5-phosphate n-Acetyl-L-glutamate-5-phosphate N-Acetyl-L-glutamic acid 5-phosphoric acid n-Acetyl-L-glutamic acid-5-phosphoric acid N-Acetyl-L-glutamyl 5-phosphate N-Acetyl-L-glutamyl 5-phosphoric acid N-Acetyl-γ-L-glutamyl phosphate N-Acetyl-γ-L-glutamyl phosphoric acid n-Acetylglutamyl-P
Chemical Formula:	C7H12NO8P
Weight:	Average: 269.1458 Monoisotopic: 269.030052877
InChI Key:	FCVIHFVSXHOPSW-UHFFFAOYSA-N
InChI:	InChI=1S/C7H12NO8P/c1-4(9)8-5(7(11)12)2-3-6(10)16-17(13,14)15/h5H,2-3H2,1H3,(H,8,9)(H,11,12)(H2,13,14,15)
CAS number:	15383-57-0
IUPAC Name:	2-[(1-hydroxyethylidene)amino]-5-oxo-5-(phosphonooxy)pentanoic acid
Traditional IUPAC Name:	2-[(1-hydroxyethylidene)amino]-5-oxo-5-(phosphonooxy)pentanoic acid
SMILES:	CC(O)=NC(CCC(=O)OP(O)(O)=O)C(O)=O
Chemical Taxonomy
Description	belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
Kingdom	Organic compounds
Super Class	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Sub Class	Amino acids, peptides, and analogues
Direct Parent	Glutamic acid and derivatives
Alternative Parents	N-acyl-alpha amino acids Acyl monophosphates Fatty acids and conjugates Dicarboxylic acids and derivatives Acetamides Secondary carboxylic acid amides Carboxylic acid salts Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Substituents	Glutamic acid or derivatives N-acyl-alpha-amino acid N-acyl-alpha amino acid or derivatives Acyl monophosphate Acyl phosphate Dicarboxylic acid or derivatives Fatty acid Organic phosphoric acid derivative Acetamide Carboxamide group Carboxylic acid salt Secondary carboxylic acid amide Carboxylic acid Organic nitrogen compound Organonitrogen compound Organooxygen compound Organic salt Hydrocarbon derivative Organic oxide Organopnictogen compound Organic oxygen compound Carbonyl group Aliphatic acyclic compound
Molecular Framework	Aliphatic acyclic compounds
External Descriptors	Not Available
Physical Properties
State:	Solid
Charge:	-3
Melting point:	Not Available
Experimental Properties:	Property Value Source
Predicted Properties	Property Value Source Water Solubility 5.15 g/L ALOGPS logP -2.1 ALOGPS logP -1.4 ChemAxon logS -1.7 ALOGPS pKa (Strongest Acidic) 1.44 ChemAxon pKa (Strongest Basic) 0.81 ChemAxon Physiological Charge -3 ChemAxon Hydrogen Acceptor Count 8 ChemAxon Hydrogen Donor Count 4 ChemAxon Polar Surface Area 153.72 Ų ChemAxon Rotatable Bond Count 7 ChemAxon Refractivity 52.41 m³·mol⁻¹ ChemAxon Polarizability 22.14 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:
SMPDB Pathways:	Not Available
KEGG Pathways:	Not Available
EcoCyc Pathways:	Not Available
Concentrations
	Not Available
Spectra
Spectra:	Spectrum Type Description Splash Key Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive Not Available View in JSpectraViewer Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Positive splash10-0fka-2690000000-d6eddbc46a23328375ed View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Positive splash10-007k-3930000000-de82a7a268e70dc654e3 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Positive splash10-0002-9500000000-9ae9ddcc23d4160e698c View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Negative splash10-004i-9050000000-f14ce7ada7abd1c74e4b View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Negative splash10-004i-9000000000-b17c4c412bb72791b476 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Negative splash10-004i-9000000000-cc59dcafb36a53fb0a14 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 16878 HMDB ID HMDB06456 Pubchem Compound ID 440236 Kegg ID C04133 ChemSpider ID Not Available Wikipedia ID Not Available BioCyc ID N-ACETYL-GLUTAMYL-P EcoCyc ID N-ACETYL-GLUTAMYL-P