P. aeruginosa Metabolome Database: 5-Phosphoribosylamine (PAMDB000265)

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

Proteins (3280)

Record Information

Version

1.0

Update Date

1/22/2018 12:54:54 PM

Metabolite ID

PAMDB000265

Identification

Name:

5-Phosphoribosylamine

Description:

5-Phosphoribosylamine is a substrate for Amidophosphoribosyltransferase and Trifunctional purine biosynthetic protein adenosine-3.

Structure

🔍MOL SDF PDB SMILES InChI View Structure

Synonyms:

5-P-β-D-ribosyl-amine
5-P-b-D-Ribosyl-amine
5-P-b-delta-Ribosyl-amine
5-P-b-δ-Ribosyl-amine
5-P-beta-D-Ribosyl-amine
5-P-beta-delta-Ribosyl-amine
5-P-β-D-Ribosyl-amine
5-P-β-δ-Ribosyl-amine
5-phospho-b-D-Ribosyl-amine
5-phospho-b-D-Ribosylamine
5-phospho-b-delta-Ribosyl-amine
5-phospho-b-delta-Ribosylamine
5-phospho-b-δ-Ribosyl-amine
5-phospho-b-δ-Ribosylamine
5-Phospho-beta-D-ribosyl-amine
5-Phospho-beta-D-ribosylamine
5-Phospho-beta-delta-ribosyl-amine
5-Phospho-beta-delta-ribosylamine
5-Phospho-D-ribosylamine
5-Phospho-delta-ribosylamine
5-phospho-β-D-Ribosyl-amine
5-phospho-β-D-Ribosylamine
5-phospho-β-δ-Ribosyl-amine
5-phospho-β-δ-Ribosylamine
5-phospho-δ-Ribosylamine
5-Phosphoribosylamine
PRA

Chemical Formula:

C₅H₁₂NO₇P

Average Molecular Weight:

229.125

Monoisotopic Molecular Weight:

229.035138255

InChI Key:

SKCBPEVYGOQGJN-TXICZTDVSA-N

InChI:

InChI=1S/C5H12NO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1

CAS number:

Not Available

IUPAC Name:

{[(2R,3S,4R)-5-amino-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid

Traditional IUPAC Name:

5-phospho-D-ribosylamine

SMILES:

N[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O

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

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

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

ribose monophosphate (CHEBI:17284 )
ribosylamine (CHEBI:17284 )

Physical Properties

State:

Solid

Charge:

-1

Melting point:

Not Available

Experimental Properties:

Property	Value	Source

Predicted Properties

Property	Value	Source
Water Solubility	38.2 mg/mL	ALOGPS
logP	-2.4	ALOGPS
logP	-3.5	ChemAxon
logS	-0.78	ALOGPS
pKa (Strongest Acidic)	1.23	ChemAxon
pKa (Strongest Basic)	8	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	142.47 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	42.49 m³·mol^-1	ChemAxon
Polarizability	18.64 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:

Pathways:

Alanine, aspartate and glutamate metabolism pae00250
Metabolic pathways pae01100
Purine metabolism pae00230

Spectra

Spectra:

Spectrum Type	Description	Splash Key
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-2590000000-701d3e4cccc695f0ec9f	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-01q9-8940000000-72b65d39cdc2ac61ecf7	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0007-9100000000-a5c27bfd695bb49e9570	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-9040000000-c9c5fb67cd4a6a7824db	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-a36fea1c5e53487160b1	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-554f2cc279bae943d47d	View in MoNA

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
Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. Pubmed: 21097882
van der Werf, M. J., Overkamp, K. M., Muilwijk, B., Coulier, L., Hankemeier, T. (2007). "Microbial metabolomics: toward a platform with full metabolome coverage." Anal Biochem 370:17-25. Pubmed: 17765195
Winder, C. L., Dunn, W. B., Schuler, S., Broadhurst, D., Jarvis, R., Stephens, G. M., Goodacre, R. (2008). "Global metabolic profiling of Escherichia coli cultures: an evaluation of methods for quenching and extraction of intracellular metabolites." Anal Chem 80:2939-2948. Pubmed: 18331064

Synthesis Reference:

Not Available

Material Safety Data Sheet (MSDS)

Not Available

Links

External Links:

Resource	Link
CHEBI ID	17284
HMDB ID	HMDB01128
Pubchem Compound ID	150
Kegg ID	C03090
ChemSpider ID	388939
Wikipedia	5-phosphoribosylamine
BioCyc ID	5-P-BETA-D-RIBOSYL-AMINE
EcoCyc ID	5-P-BETA-D-RIBOSYL-AMINE

5-Phosphoribosylamine (PAMDB000265)

Structure for 5-Phosphoribosylamine (PAMDB000265)