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L-Valyl-tRNA(Val) (M2MDB004379)

Record Information
Version2.0
Creation Date2015-06-04 15:19:25 -0600
Update Date2015-09-17 16:25:05 -0600
Secondary Accession Numbers
  • ECMDB23797
Identification
Name:L-Valyl-tRNA(Val)
DescriptionL-Valyl-tRNA(Val) is an intermediate in tRNA charging pathway in E.coli. It is a product for the enzyme valyl-tRNA synthetase which catalyzes the reaction a tRNAval + L-valine + ATP + H+ -> an L-valyl-[tRNAval] + AMP + diphosphate (BioCyc class: Charged-LYS-tRNAs).
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms:
  • Adenosyl cobyrinate hexaamide
  • Adenosyl cobyrinic acid hexaamide
  • Adenosylcobyrate
  • Adenosylcobyric acid
Chemical Formula:C55H77CoN15O11
Weight:Average: 1183.248
Monoisotopic: 1182.525344
InChI Key:AXZSUSWNAXMBBB-UHFFFAOYSA-M
InChI:InChI=1S/C45H66N10O8.C10H12N5O3.Co/c1-21-36-24(10-13-30(47)57)41(3,4)28(53-36)18-27-23(9-12-29(46)56)43(6,19-33(50)60)39(52-27)22(2)37-25(11-14-31(48)58)44(7,20-34(51)61)45(8,55-37)40-26(17-32(49)59)42(5,38(21)54-40)16-15-35(62)63;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H14,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1
CAS number:Not Available
IUPAC Name:{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}[(1R,3R,4R,8S,13S,14S,18S,19S)-8,13,18-tris(2-carbamoylethyl)-3,14,19-tris(carbamoylmethyl)-4-(2-carboxyethyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10(22),11,15(21),16-hexaen-20-yl]cobaltylium
Traditional IUPAC Name:{[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}[(1R,3R,4R,8S,13S,14S,18S,19S)-8,13,18-tris(2-carbamoylethyl)-3,14,19-tris(carbamoylmethyl)-4-(2-carboxyethyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10(22),11,15(21),16-hexaen-20-yl]cobaltylium
SMILES:[Co++].[H]C1([CH2])OC([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)C1([H])O.[H]C1(CCC([NH-])=O)\C2=C\C3=N\C(=C(C)\C4=NC([H])(C([H])(CC(O)=N)C4(C)CCC(O)=O)C4(C)N\C(=C(C)/C(=N2)C1(C)CC(O)=N)C([H])(CCC(O)=N)C4(C)CC(O)=N)\C([H])(CCC(O)=N)C3(C)C
Chemical Taxonomy
Description belongs to the class of organic compounds known as metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassTetrapyrroles and derivatives
Sub ClassMetallotetrapyrroles
Direct ParentMetallotetrapyrroles
Alternative Parents
Substituents
  • Metallotetrapyrrole skeleton
  • 5'-deoxyribonucleoside
  • Glycosyl compound
  • N-glycosyl compound
  • 6-aminopurine
  • Pentose monosaccharide
  • Imidazopyrimidine
  • Purine
  • Aminopyrimidine
  • Monosaccharide
  • N-substituted imidazole
  • Fatty amide
  • Pyrimidine
  • Imidolactam
  • Fatty acyl
  • Heteroaromatic compound
  • Imidazole
  • Pyrrolidine
  • Pyrroline
  • Tetrahydrofuran
  • Azole
  • Amino acid
  • Primary carboxylic acid amide
  • 1,2-diol
  • Amino acid or derivatives
  • Secondary alcohol
  • Ketimine
  • Carboxamide group
  • Organic metal salt
  • Azacycle
  • Carboxylic acid derivative
  • Carboxylic acid
  • Oxacycle
  • Monocarboxylic acid or derivatives
  • Organic transition metal salt
  • Transition metal alkyl
  • Organic oxide
  • Organopnictogen compound
  • Imine
  • Organic transition metal moeity
  • Organometallic compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Carbonyl group
  • Organic salt
  • Organic cobalt salt
  • Hydrocarbon derivative
  • Amine
  • Alcohol
  • Organic cation
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Physical Properties
State:Not Available
Charge:3
Melting point:Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility0.029 g/LALOGPS
logP1.5ALOGPS
logP-7ChemAxon
logS-4.6ALOGPS
pKa (Strongest Acidic)3.96ChemAxon
pKa (Strongest Basic)8.78ChemAxon
Physiological Charge3ChemAxon
Hydrogen Acceptor Count19ChemAxon
Hydrogen Donor Count10ChemAxon
Polar Surface Area455.47 ŲChemAxon
Rotatable Bond Count22ChemAxon
Refractivity296.58 m³·mol⁻¹ChemAxon
Polarizability119.85 ųChemAxon
Number of Rings8ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations:Cytoplasm
Reactions:
Adenosine triphosphate + tRNA(Val) + L-Valine + tRNA(Val) <> Adenosine monophosphate + Pyrophosphate + L-Valyl-tRNA(Val) + L-Valyl-tRNA(Val)
Adenosine triphosphate + tRNA(Val) + L-Valine <> Adenosine monophosphate + Pyrophosphate + L-Valyl-tRNA(Val)
SMPDB Pathways:Not Available
KEGG Pathways:
  • Aminoacyl-tRNA biosynthesis ec00970
  • Valine, leucine and isoleucine biosynthesis ec00290
EcoCyc Pathways:Not Available
Concentrations
Not Available
Spectra
Spectra:Not Available
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 IDNot Available
Kegg IDC02554
ChemSpider IDNot Available
Wikipedia IDNot Available
BioCyc IDNot Available

Enzymes

Protein Details
1. Valyl-tRNA synthetase
General function:
Involved in nucleotide binding
Specific function:
Catalyzes the attachment of valine to tRNA(Val). As ValRS can inadvertently accommodate and process structurally similar amino acids such as threonine, to avoid such errors, it has a "posttransfer" editing activity that hydrolyzes mischarged Thr-tRNA(Val) in a tRNA-dependent manner
Gene Name:
valS
Uniprot ID:
P07118
Molecular weight:
108192
Reactions
ATP + L-valine + tRNA(Val) = AMP + diphosphate + L-valyl-tRNA(Val).