L-Valyl-tRNA(Val) (PAMDB004379)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB004379
Identification
Name: L-Valyl-tRNA(Val)
Description:L-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
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • Adenosyl cobyrinate hexaamide
  • Adenosyl cobyrinic acid hexaamide
  • Adenosylcobyrate
  • Adenosylcobyric acid
Chemical Formula: C55H77CoN15O11
Average Molecular Weight: 1183.248
Monoisotopic Molecular Weight: 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[15.2.1.1?,??1?????1??,???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[15.2.1.1?,??1?????1??,???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
Taxonomy DescriptionNot Available
Kingdom Not Available
Super ClassNot Available
Class Not Available
Sub ClassNot Available
Direct Parent Not Available
Alternative Parents Not Available
Substituents Not Available
Molecular Framework Not Available
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:3
Melting point: Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility0.0285 mg/mLALOGPS
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 Å2ChemAxon
Rotatable Bond Count22ChemAxon
Refractivity296.58 m3·mol-1ChemAxon
Polarizability119.85 Å3ChemAxon
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)
Pathways:
  • Aminoacyl-tRNA biosynthesis pae00970
  • Valine, leucine and isoleucine biosynthesis pae00290
Spectra
Spectra:
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