P. aeruginosa Metabolome Database: alpha-D-Glucosamine 1-phosphate (PAMDB002052)

Identification Taxonomy Physical Properties Biological Properties Spectra Concentrations Links References Enzymes Transporters

Proteins (3280)

Record Information

Version

1.0

Update Date

1/22/2018 11:54:54 AM

Metabolite ID

PAMDB002052

Identification

Name:

alpha-D-Glucosamine 1-phosphate

Description:

Alpha-D-glucosamine 1-phosphate is a member of the chemical class known as Hexoses. These are monosaccharides in which the sugar unit is a hexose. It is involved and amino sugar and nucleotide sugar metabolism.

Structure

🔍MOL SDF PDB SMILES InChI View Structure

Synonyms:

2-amino-2-Deoxy-1-O-phosphono-a-D-glucopyranose
2-Amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose
2-amino-2-Deoxy-1-O-phosphono-α-D-glucopyranose
2-amino-2-Deoxy-a-D-glucopyranose 1-(dihydrogen phosphate)
2-amino-2-Deoxy-a-D-glucopyranose 1-(dihydrogen phosphoric acid)
2-Amino-2-deoxy-alpha-D-glucopyranose 1-(dihydrogen phosphate)
2-amino-2-Deoxy-alpha-D-glucopyranose 1-(dihydrogen phosphoric acid)
2-amino-2-Deoxy-α-D-glucopyranose 1-(dihydrogen phosphate)
2-amino-2-Deoxy-α-D-glucopyranose 1-(dihydrogen phosphoric acid)
a-D-Glucosamine 1-phosphate
a-D-Glucosamine 1-phosphoric acid
Alpha-D-Glucosamine 1-phosphate
alpha-D-Glucosamine 1-phosphoric acid
D-Glucosamine 1-phosphate
D-Glucosamine 1-phosphoric acid
GLUCOSAMINE 1-PHOSPHATE
GLUCOSAMINE 1-phosphoric acid
N-Acetyl-a-D-glucosamine 1-phosphate
N-Acetyl-a-D-glucosamine 1-phosphoric acid
N-Acetyl-alpha-D-glucosamine 1-phosphate
N-Acetyl-alpha-D-glucosamine 1-phosphoric acid
N-Acetyl-α-D-glucosamine 1-phosphate
N-Acetyl-α-D-glucosamine 1-phosphoric acid
α-D-Glucosamine 1-phosphate
α-D-Glucosamine 1-phosphoric acid

Chemical Formula:

C₆H₁₄NO₈P

Average Molecular Weight:

259.151

Monoisotopic Molecular Weight:

259.045702941

InChI Key:

YMJBYRVFGYXULK-QZABAPFNSA-N

InChI:

InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1

CAS number:

Not Available

IUPAC Name:

{[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid

Traditional IUPAC Name:

α-D-glucosamine 1-phosphate

SMILES:

N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(O)(O)=O

Chemical Taxonomy

Taxonomy Description

This compound belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.

Kingdom

Organic compounds

Super Class

Organooxygen compounds

Class

Carbohydrates and carbohydrate conjugates

Sub Class

Monosaccharides

Direct Parent

Monosaccharide phosphates

Alternative Parents

Substituents

Glucosamine
Amino sugar
Monosaccharide phosphate
Monoalkyl phosphate
Amino saccharide
Alkyl phosphate
Phosphoric acid ester
Oxane
Organic phosphoric acid derivative
Organic phosphate
Secondary alcohol
1,2-diol
1,2-aminoalcohol
Oxacycle
Organoheterocyclic compound
Hydrocarbon derivative
Primary amine
Primary alcohol
Organonitrogen compound
Primary aliphatic amine
Amine
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

glucosamine phosphate (CHEBI:27625 )

Physical Properties

State:

Not Available

Charge:

-1

Melting point:

Not Available

Experimental Properties:

Property	Value	Source

Predicted Properties

Property	Value	Source
Water Solubility	35.1 mg/mL	ALOGPS
logP	-2.6	ALOGPS
logP	-4.2	ChemAxon
logS	-0.87	ALOGPS
pKa (Strongest Acidic)	1.18	ChemAxon
pKa (Strongest Basic)	8.69	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	162.7 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	48.45 m³·mol^-1	ChemAxon
Polarizability	21.24 Å³	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:

alpha-D-Glucosamine 1-phosphate + alpha-D-Glucosamine 1-phosphate <> Glucosamine 6-phosphate

Pathways:

Amino sugar and nucleotide sugar metabolism pae00520
Metabolic pathways pae01100

Spectra

Spectra:

Spectrum Type	Description	Splash Key
GC-MS	GC-MS Spectrum - GC-MS	Not Available
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03dl-1390000000-19b3065167a88b742feb	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-01ow-9550000000-52be51437d4b754c9a4d	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0005-9200000000-b0eb00d809084bbdb3d3	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-054t-9010000000-da9819227ffe756d390b	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9200000000-42c6841338922884a12a	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-21af41c3ae65f0ccd866	View in MoNA

References

References:

Not Available

Synthesis Reference:

Not Available

Material Safety Data Sheet (MSDS)

Not Available

Links

External Links:

Resource	Link
CHEBI ID	27625
HMDB ID	Not Available
Pubchem Compound ID	25243931
Kegg ID	C06156
ChemSpider ID	26331214
Wikipedia ID	Not Available
BioCyc ID	Not Available
Ligand Expo	GP1

alpha-D-Glucosamine 1-phosphate (PAMDB002052)

Structure for alpha-D-Glucosamine 1-phosphate (PAMDB002052)