tRNA(Tyr) (PAMDB005478)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB005478
Identification
Name: tRNA(Tyr)
Description:Non-coding transfer RNAs
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
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
Average Molecular Weight: 194.186
Monoisotopic Molecular Weight: 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
Taxonomy DescriptionThis compound 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.
Kingdom Organic compounds
Super ClassBenzenoids
Class Tetralins
Sub ClassNot Available
Direct Parent Tetralins
Alternative Parents
Substituents
  • Tetralin
  • Aryl alkyl ketone
  • Aryl ketone
  • Vinylogous acid
  • Secondary alcohol
  • Ketone
  • Polyol
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Alcohol
  • Aromatic homopolycyclic compound
Molecular Framework Aromatic homopolycyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility7.43 mg/mLALOGPS
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 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity49.8 m3·mol-1ChemAxon
Polarizability18.81 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Cytoplasm
Reactions:
Adenosine triphosphate + tRNA(Tyr) + L-Tyrosine + tRNA(Tyr) <> Adenosine monophosphate + Pyrophosphate + L-Tyrosyl-tRNA(Tyr) + L-Tyrosyl-tRNA(Tyr)
Pathways:
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 ID388440
Wikipedia IDNot Available
BioCyc IDNot Available