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Showing Compound N-acetyl-α-D-glucosamine 1-phosphate (FDB031023)

Record Information
Version1.0
Creation date2015-05-07 20:49:38 UTC
Update date2019-11-26 03:22:04 UTC
Primary IDFDB031023
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameN-acetyl-α-D-glucosamine 1-phosphate
DescriptionAmmonia, also known as nh3 or ammonia solution, is a member of the class of compounds known as homogeneous other non-metal compounds. Homogeneous other non-metal compounds are inorganic non-metallic compounds in which the largest atom belongs to the class of 'other nonmetals'. Ammonia can be found in a number of food items such as rose hip, yardlong bean, cereals and cereal products, and ceylon cinnamon, which makes ammonia a potential biomarker for the consumption of these food products. Ammonia can be found primarily in blood, cellular cytoplasm, cerebrospinal fluid (CSF), and urine, as well as throughout all human tissues. Ammonia exists in all eukaryotes, ranging from yeast to humans. In humans, ammonia is involved in several metabolic pathways, some of which include glucose-alanine cycle, phenylalanine and tyrosine metabolism, homocysteine degradation, and d-arginine and d-ornithine metabolism. Ammonia is also involved in several metabolic disorders, some of which include ureidopropionase deficiency, hyperornithinemia-hyperammonemia-homocitrullinuria [hhh-syndrome], non ketotic hyperglycinemia, and beta-mercaptolactate-cysteine disulfiduria. Moreover, ammonia is found to be associated with 3-Hydroxy-3-methylglutaryl-CoA lyase deficiency, 3-Methyl-crotonyl-glycinuria, citrullinemia type I, and short bowel syndrome. Ammonia is a non-carcinogenic (not listed by IARC) potentially toxic compound. Ammonia or azane is a compound of nitrogen and hydrogen with the formula NH3. The simplest pnictogen hydride, ammonia is a colourless gas with a characteristic pungent smell. It is a common nitrogenous waste, particularly among aquatic organisms, and it contributes significantly to the nutritional needs of terrestrial organisms by serving as a precursor to food and fertilizers. Ammonia, either directly or indirectly, is also a building block for the synthesis of many pharmaceutical products and is used in many commercial cleaning products . Acute Exposure: EYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration.
CAS Number7664-41-7
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
1-(N-Acetyl-alpha-D-glucosamine) phosphateChEBI
2-(ACETYLAMINO)-2-deoxy-1-O-phosphono-ALPHA-D-glucopyranoseChEBI
2-Acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranoseChEBI
2-N-Acetylglucosamine 1-phosphateChEBI
alpha-GlcNAc-(1->o)PO3H2ChEBI
alpha-GlcNAc-1-pChEBI
GlcNAc1alpha-phosphateChEBI
N-Acetyl-alpha-D-glucosamine 1-(dihydrogen phosphate)ChEBI
N-Acetylglucosamine-1-phosphateChEBI
1-(N-Acetyl-a-D-glucosamine) phosphateGenerator
1-(N-Acetyl-a-D-glucosamine) phosphoric acidGenerator
1-(N-Acetyl-alpha-D-glucosamine) phosphoric acidGenerator
1-(N-Acetyl-α-D-glucosamine) phosphateGenerator
1-(N-Acetyl-α-D-glucosamine) phosphoric acidGenerator
2-(ACETYLAMINO)-2-deoxy-1-O-phosphono-a-D-glucopyranoseGenerator
2-(ACETYLAMINO)-2-deoxy-1-O-phosphono-α-D-glucopyranoseGenerator
2-Acetamido-2-deoxy-1-O-phosphono-a-D-glucopyranoseGenerator
2-Acetamido-2-deoxy-1-O-phosphono-α-D-glucopyranoseGenerator
2-N-Acetylglucosamine 1-phosphoric acidGenerator
a-GlcNAc-(1->o)PO3H2Generator
Α-glcnac-(1->o)PO3H2Generator
a-GlcNAc-1-pGenerator
Α-glcnac-1-pGenerator
GlcNAc1a-phosphateGenerator
GlcNAc1a-phosphoric acidGenerator
GlcNAc1alpha-phosphoric acidGenerator
GlcNAc1α-phosphateGenerator
GlcNAc1α-phosphoric acidGenerator
N-Acetyl-a-D-glucosamine 1-(dihydrogen phosphate)Generator
N-Acetyl-a-D-glucosamine 1-(dihydrogen phosphoric acid)Generator
N-Acetyl-alpha-D-glucosamine 1-(dihydrogen phosphoric acid)Generator
N-Acetyl-α-D-glucosamine 1-(dihydrogen phosphate)Generator
N-Acetyl-α-D-glucosamine 1-(dihydrogen phosphoric acid)Generator
N-Acetylglucosamine-1-phosphoric acidGenerator
N-Acetyl-α-D-glucosamine 1-phosphoric acidGenerator
N-Acetyl-a-D-glucosamine 1-phosphateGenerator
N-Acetyl-a-D-glucosamine 1-phosphoric acidGenerator
N-Acetyl-alpha-D-glucosamine 1-phosphoric acidGenerator
N-Acetyl-α-D-glucosamine 1-phosphateGenerator
GlcNAc-1-phosphateMeSH
Predicted Properties
PropertyValueSource
logP-3.3ChemAxon
pKa (Strongest Acidic)1.18ChemAxon
pKa (Strongest Basic)-1.6ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area165.78 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity57.9 m³·mol⁻¹ChemAxon
Polarizability25.31 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaH3N
IUPAC name{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid
InChI IdentifierInChI=1S/H3N/h1H3
InChI KeyQGZKDVFQNNGYKY-UHFFFAOYSA-N
Isomeric SMILESN
Average Molecular Weight17.0305
Monoisotopic Molecular Weight17.026549101
Classification
Description Belongs to the class of organic compounds known as n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an n-acyl group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentN-acyl-alpha-hexosamines
Alternative Parents
Substituents
  • N-acyl-alpha-hexosamine
  • Hexose monosaccharide
  • Monosaccharide phosphate
  • Monoalkyl phosphate
  • Monosaccharide
  • Organic phosphoric acid derivative
  • Oxane
  • Phosphoric acid ester
  • Alkyl phosphate
  • Acetamide
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • Carboxamide group
  • Carboxylic acid derivative
  • Organoheterocyclic compound
  • Oxacycle
  • Primary alcohol
  • Carbonyl group
  • Organonitrogen compound
  • Organic oxide
  • Alcohol
  • Organopnictogen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
  • 2-acetamido-2-deoxy-D-glucopyranose 1-phosphate (CHEBI:16446 )
Ontology
OntologyNo ontology term
Physico-Chemical Properties
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MS, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-007k-9230000000-37cdd3ef185356d03c19Spectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0udi-1094000000-f1e04aaf05d431b8b0ab2016-09-12View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0f7k-6290000000-6ff96a8c8bf54d5e8bfa2016-09-12View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0f6t-9620000000-3e2ee2ffc3801abdb7da2016-09-12View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-002s-9211000000-7f3631860a58ca1880602016-09-12View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9110000000-9614f2b717f8fb17cc082016-09-12View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-1a4f6aa02a49053d5b952016-09-12View Spectrum
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound IDNot Available
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference