Record Information
Version2.0
Creation Date2015-06-08 15:18:28 -0600
Update Date2015-09-14 16:46:24 -0600
Secondary Accession Numbers
  • ECMDB23864
Identification
Name:tRNA(Tyr)
DescriptionNULL
Structure
Thumb
Synonyms:
  • 3,4-dihydro-3,6,8-Trihydoroxy-1(2H)-napthalenone
  • 3,4-dihydro-3,6,8-Trihydroxy-1(2H)naphthalenone
  • 3,4-dihydro-3,6,8-Trihydroxy-1-(2H)-naphthalenone
  • Scytolone
Chemical Formula:C10H10O4
Weight:Average: 194.186
Monoisotopic: 194.057908802
InChI Key:RTWVXIIKUFSDJB-ZETCQYMHSA-N
InChI:InChI=1S/C10H10O4/c11-6-1-5-2-7(12)4-9(14)10(5)8(13)3-6/h1,3,7,11-13H,2,4H2/t7-/m0/s1
CAS number:Not Available
IUPAC Name:(3S)-3,6,8-trihydroxy-1,2,3,4-tetrahydronaphthalen-1-one
Traditional IUPAC Name:scytalone
SMILES:O[C@@H]1CC(=O)C2=C(C1)C=C(O)C=C2O
Chemical Taxonomy
Description belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
KingdomOrganic compounds
Super ClassBenzenoids
ClassTetralins
Sub ClassNot Available
Direct ParentTetralins
Alternative Parents
Substituents
  • Tetralin
  • Aryl alkyl ketone
  • Aryl ketone
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Vinylogous acid
  • Secondary alcohol
  • Ketone
  • Polyol
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Alcohol
  • Aromatic homopolycyclic compound
Molecular FrameworkAromatic homopolycyclic compounds
External DescriptorsNot Available
Physical Properties
State:Not Available
Charge:0
Melting point:Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility7.43 g/LALOGPS
logP0.25ALOGPS
logP1.09ChemAxon
logS-1.4ALOGPS
pKa (Strongest Acidic)7.76ChemAxon
pKa (Strongest Basic)-2.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area77.76 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity49.8 m³·mol⁻¹ChemAxon
Polarizability18.81 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, Positivesplash10-004j-0900000000-a3eac411939576a5ba58View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004j-1900000000-e67b6c8506b6fcf3265cView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a70-2900000000-c6c6dbc3764e4a5f5217View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0006-0900000000-12aaf2dc39218897d404View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0006-0900000000-de213cc239e733b72c28View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-00mo-4900000000-58524d6b5f7e6eea14d6View in MoNA
References
References:Not Available
Synthesis Reference:Not Available
Material Safety Data Sheet (MSDS)Not Available
External Links:
ResourceLink
CHEBI IDNot Available
HMDB IDNot Available
Pubchem Compound ID439309
Kegg IDC00787
ChemSpider IDNot Available
Wikipedia IDNot Available
BioCyc IDNot Available

Enzymes

General function:
Involved in nucleotide binding
Specific function:
Catalyzes the attachment of tyrosine to tRNA(Tyr) in a two-step reaction:tyrosine is first activated by ATP to form Tyr- AMP and then transferred to the acceptor end of tRNA(Tyr)
Gene Name:
tyrS
Uniprot ID:
P0AGJ9
Molecular weight:
47527
Reactions
ATP + L-tyrosine + tRNA(Tyr) = AMP + diphosphate + L-tyrosyl-tRNA(Tyr).