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Record Information
Version	2.0
Creation Date	2012-05-31 14:31:29 -0600
Update Date	2015-06-03 17:19:27 -0600
Secondary Accession Numbers	ECMDB20175
Identification
Name:	N-Acetyl-D-galactosamine 6-phosphate
Description	N-acetyl-D-galactosamine 6-phosphate is a member of the chemical class known as Hexoses. These are monosaccharides in which the sugar unit is a hexose.
Structure	MOLSDFPDBSMILESInChI × Structure for #<Compound:0xa7dd3464> Close
Synonyms:	2-Acetamido-2-deoxy-6-O-phosphono-D-galactose N-Acetyl-D-galactosamine 6-phosphoric acid
Chemical Formula:	C8H16NO9P
Weight:	Average: 301.1877 Monoisotopic: 301.056267627
InChI Key:	BRGMHAYQAZFZDJ-KEWYIRBNSA-N
InChI:	InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6+,7-,8?/m1/s1
CAS number:	Not Available
IUPAC Name:	N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-[(phosphonooxy)methyl]oxan-3-yl]ethanimidic acid
Traditional IUPAC Name:	N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-[(phosphonooxy)methyl]oxan-3-yl]ethanimidic acid
SMILES:	[H]C1(O)O[C@]([H])(COP(O)(O)=O)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])N=C(C)O
Chemical Taxonomy
Description	belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group.
Kingdom	Organic compounds
Super Class	Organic oxygen compounds
Class	Organooxygen compounds
Sub Class	Carbohydrates and carbohydrate conjugates
Direct Parent	Acylaminosugars
Alternative Parents	Hexose phosphates N-acyl-alpha-hexosamines Monosaccharide phosphates Monoalkyl phosphates Oxanes Acetamides 1,2-diols Secondary carboxylic acid amides Hemiacetals Secondary alcohols Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Substituents	Acylaminosugar Hexose phosphate N-acyl-alpha-hexosamine Monosaccharide phosphate Monoalkyl phosphate Monosaccharide Organic phosphoric acid derivative Alkyl phosphate Oxane Phosphoric acid ester Acetamide 1,2-diol Carboxamide group Hemiacetal Secondary carboxylic acid amide Secondary alcohol Oxacycle Carboxylic acid derivative Organoheterocyclic compound Polyol Hydrocarbon derivative Organic oxide Organopnictogen compound Alcohol Organic nitrogen compound Organonitrogen compound Carbonyl group Aliphatic heteromonocyclic compound
Molecular Framework	Aliphatic heteromonocyclic compounds
External Descriptors	galactosamine phosphate (CHEBI:18207 )
Physical Properties
State:	Not Available
Charge:	-2
Melting point:	Not Available
Experimental Properties:	Property Value Source
Predicted Properties	Property Value Source Water Solubility 22.8 g/L ALOGPS logP -2.3 ALOGPS logP -3.2 ChemAxon logS -1.1 ALOGPS pKa (Strongest Acidic) 1 ChemAxon pKa (Strongest Basic) 1.61 ChemAxon Physiological Charge -2 ChemAxon Hydrogen Acceptor Count 9 ChemAxon Hydrogen Donor Count 6 ChemAxon Polar Surface Area 169.27 Ų ChemAxon Rotatable Bond Count 4 ChemAxon Refractivity 58.42 m³·mol⁻¹ ChemAxon Polarizability 25.43 ų ChemAxon Number of Rings 1 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:	N-Acetyl-b-D-galactosamine + Protein N(pi)-phospho-L-histidine <> N-Acetyl-D-galactosamine 6-phosphate + Protein histidine N-Acetyl-D-galactosamine 6-phosphate + Water > D-Galactosamine 6-phosphate + Acetic acid
SMPDB Pathways:	Galactose metabolism PW000821
KEGG Pathways:	Galactose metabolism ec00052 Phosphotransferase system (PTS) ec02060
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_11) - 70eV, Positive Not Available View in JSpectraViewer Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Positive splash10-0udi-1194000000-b0a4d9fd7a13d026bb99 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Positive splash10-0udj-4490000000-ea9ff034bca00f7e2aa8 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Positive splash10-03ki-6900000000-fe3006302eea82613221 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Negative splash10-0v00-5932000000-84c01e9e5eb60cccf81b View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Negative splash10-004i-9110000000-a83eaebfb9c9df1fc02c View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Negative splash10-004i-9000000000-0b988388b54dd71e7a24 View in MoNA MS Mass Spectrum (Electron Ionization) 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 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer
References
References:	Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. Pubmed: 22080510
Synthesis Reference:	Not Available
Material Safety Data Sheet (MSDS)	Not Available
Links
External Links:	Resource Link CHEBI ID 18207 HMDB ID Not Available Pubchem Compound ID 16019956 Kegg ID C06376 ChemSpider ID 13148707 Wikipedia ID Not Available BioCyc ID N-ACETYL-D-GALACTOSAMINE-6-PHOSPHATE EcoCyc ID N-ACETYL-D-GALACTOSAMINE-6-PHOSPHATE

Enzymes