P. aeruginosa Metabolome Database: L-Alanyl-tRNA (PAMDB004326)

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

PAMDB004326

Identification

Name:

L-Alanyl-tRNA

Description:

peptidoglycan cross-bridge biosynthesis. The incorporation of. L-alanine required L-alanyl transfer RNA (L-alanyl-tRNA).

Structure

🔍MOL SDF PDB SMILES InChI View Structure

Synonyms:

Man1,6BP
Mannose-1,6-bisphosphate
Mannose-1,6-bisphosphate, (a-D)-isomer
Mannose-1,6-bisphosphate, (alpha-D)-isomer
Mannose-1,6-bisphosphate, (L)-isomer
Mannose-1,6-bisphosphate, (α-D)-isomer
Mannose-1,6-bisphosphoric acid
Mannose-1,6-bisphosphoric acid, (a-D)-isomer
Mannose-1,6-bisphosphoric acid, (alpha-D)-isomer
Mannose-1,6-bisphosphoric acid, (L)-isomer
Mannose-1,6-bisphosphoric acid, (α-D)-isomer

Chemical Formula:

C₆H₁₄O₁₂P₂

Average Molecular Weight:

340.114

Monoisotopic Molecular Weight:

339.996049887

InChI Key:

RWHOZGRAXYWRNX-RWOPYEJCSA-N

InChI:

InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5+,6-/m1/s1

CAS number:

Not Available

IUPAC Name:

{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxy)oxan-2-yl]methoxy}phosphonic acid

Traditional IUPAC Name:

[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxy)oxan-2-yl]methoxyphosphonic acid

SMILES:

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

Chemical Taxonomy

Taxonomy Description

This compound belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups.

Kingdom

Organic compounds

Super Class

Organooxygen compounds

Class

Carbohydrates and carbohydrate conjugates

Sub Class

Monosaccharides

Direct Parent

Hexose phosphates

Alternative Parents

Substituents

Hexose phosphate
Monosaccharide phosphate
Monoalkyl phosphate
Alkyl phosphate
Phosphoric acid ester
Oxane
Organic phosphoric acid derivative
Organic phosphate
Secondary alcohol
1,2-diol
Oxacycle
Organoheterocyclic compound
Polyol
Organic oxide
Hydrocarbon derivative
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State:

Not Available

Charge:

-4

Melting point:

Not Available

Experimental Properties:

Property	Value	Source

Predicted Properties

Property	Value	Source
Water Solubility	16.0 mg/mL	ALOGPS
logP	-1.6	ALOGPS
logP	-3.2	ChemAxon
logS	-1.3	ALOGPS
pKa (Strongest Acidic)	0.89	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-4	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	203.44 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	57.67 m³·mol^-1	ChemAxon
Polarizability	24.81 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	0	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:

Adenosine triphosphate + L-Alanine + tRNA(Ala) + tRNA(Ala) <> Adenosine monophosphate + Pyrophosphate + L-Alanyl-tRNA + L-Alanyl-tRNA

Pathways:

Aminoacyl-tRNA biosynthesis pae00970

Spectra

Spectra:

Spectrum Type	Description	Splash Key
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0006-2169000000-7496db21481f5c6646f1	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0007-8194000000-0ab11c338e7462b1784e	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0002-9710000000-04febc887536086e1a99	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-002r-7319000000-8f0f5f6bb5550e944766	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-e67858a197b35311ba75	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-44fd1ff1d686ff20aa4f	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	Not Available
HMDB ID	Not Available
Pubchem Compound ID	3036654
Kegg ID	C00886
ChemSpider ID	2300632
Wikipedia ID	Not Available
BioCyc ID	Not Available

L-Alanyl-tRNA (PAMDB004326)

Structure for L-Alanyl-tRNA (PAMDB004326)