Record Information
Version2.0
Creation Date2015-06-08 16:00:02 -0600
Update Date2015-09-14 16:46:25 -0600
Secondary Accession Numbers
  • ECMDB23878
Identification
Name:tRNA(Ala)
DescriptionNULL
Structure
Thumb
Synonyms:
  • (1,4)-b-Xylobiose
  • (1,4)-beta-Xylobiose
  • (1,4)-β-xylobiose
  • (Xyl)2
  • 1,4-b-Xylobiose
  • 1,4-beta-Xylobiose
  • 1,4-β-xylobiose
  • 4-O-b-D-Xylopyranosyl-D-xylopyranose
  • 4-O-b-D-Xylopyranosyl-D-xylose
  • 4-O-beta-D-Xylopyranosyl-D-xylopyranose
  • 4-O-beta-D-Xylopyranosyl-D-xylose
  • 4-O-β-D-xylopyranosyl-D-xylopyranose
  • 4-O-β-D-xylopyranosyl-D-xylose
  • b-D-Xyl-(1->4)-D-xyl
  • b-D-Xylp-(1->4)-D-xylp
  • beta-D-Xyl-(1->4)-D-xyl
  • beta-D-Xylp-(1->4)-D-xylp
  • Xylbeta(1,4)xyl
  • Xylbeta(1->4)xyl
  • β-D-xyl-(1->4)-D-xyl
  • β-D-xylp-(1->4)-D-xylp
Chemical Formula:C10H18O9
Weight:Average: 282.245
Monoisotopic: 282.09508216
InChI Key:LGQKSQQRKHFMLI-WSNPFVOISA-N
InChI:InChI=1S/C10H18O9/c11-3-1-18-10(8(15)5(3)12)19-4-2-17-9(16)7(14)6(4)13/h3-16H,1-2H2/t3-,4-,5+,6+,7-,8-,9?,10+/m1/s1
CAS number:Not Available
IUPAC Name:(3R,4R,5R)-5-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxane-2,3,4-triol
Traditional IUPAC Name:(3R,4R,5R)-5-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxane-2,3,4-triol
SMILES:O[C@@H]1CO[C@@H](O[C@@H]2COC(O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Chemical Taxonomy
Description belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentO-glycosyl compounds
Alternative Parents
Substituents
  • O-glycosyl compound
  • Disaccharide
  • Oxane
  • Secondary alcohol
  • Hemiacetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Acetal
  • Hydrocarbon derivative
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Physical Properties
State:Not Available
Charge:0
Melting point:Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility627 g/LALOGPS
logP-3ALOGPS
logP-3.4ChemAxon
logS0.35ALOGPS
pKa (Strongest Acidic)11.27ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area149.07 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity56.41 m³·mol⁻¹ChemAxon
Polarizability25.75 ųChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations:Cytoplasm
Reactions:
SMPDB Pathways:Not Available
KEGG Pathways:
EcoCyc Pathways:Not Available
Concentrations
Not Available
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-0960000000-b5077923c006467054bcView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0f89-0900000000-de6fe92c8ed336b358e5View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-7900000000-2484598a4b5fe41d1a90View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-3980000000-b788ddc569c4284cb229View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001j-2920000000-9fe8283bdc8c3b36b0b7View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-000x-9400000000-71f88743c76191975fccView in MoNA
References
References:Not Available
Synthesis Reference:Not Available
Material Safety Data Sheet (MSDS)Not Available
External Links:
ResourceLink
CHEBI ID28309
HMDB IDNot Available
Pubchem Compound ID439538
Kegg IDC01635
ChemSpider IDNot Available
Wikipedia IDNot Available
BioCyc IDNot Available

Enzymes

General function:
Involved in nucleotide binding
Specific function:
Edits incorrectly charged Ser-tRNA(Ala) and Gly- tRNA(Ala) but not incorrectly charged Ser-tRNA(Thr)
Gene Name:
alaS
Uniprot ID:
P00957
Molecular weight:
96032
Reactions
ATP + L-alanine + tRNA(Ala) = AMP + diphosphate + L-alanyl-tRNA(Ala).