Record Information
Version2.0
Creation Date2015-06-04 15:15:36 -0600
Update Date2015-09-17 16:25:05 -0600
Secondary Accession Numbers
  • ECMDB23780
Identification
Name:L-Histidyl-tRNA(His)
Description:L-Histidyl-tRNA(His) is an intermediate in aminoacyl-tRNA biosynthesis in E.coli. It is a product for the enzyme histidyl tRNA synthetase which catalyzes the reaction a tRNAhis + L-histidine -> an L-histidyl-[tRNAhis] (KEGG compound: C02988).
Structure
Thumb
Synonyms:
  • Cob(II)yrinate a,c diamide
  • Cob(II)yrinate a,c-diamide
  • Cob(II)yrinate diamide
  • Cob(ii)yrinic acid a,c diamide
  • Cob(II)yrinic acid a,c-diamide
  • Cob(II)yrinic acid diamide
Chemical Formula:C45H61CoN6O12
Weight:Average: 936.946
Monoisotopic: 936.367392
InChI Key:IADMSJRJSGLGJI-UHFFFAOYSA-M
InChI:InChI=1S/C45H62N6O12.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H10,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-1
CAS number:Not Available
IUPAC Name:[(1R,2R,3R,4R,6Z,8S,13S,14S,18S,19S)-14,19-bis(carbamoylmethyl)-4,8,13,18-tetrakis(2-carboxyethyl)-3-(carboxymethyl)-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:[(1R,2R,3R,4R,6Z,8S,13S,14S,18S,19S)-14,19-bis(carbamoylmethyl)-4,8,13,18-tetrakis(2-carboxyethyl)-3-(carboxymethyl)-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(CCC(O)=O)\C2=C\C3=N\C(=C(C)\C4=NC([H])(C([H])(CC(O)=O)C4(C)CCC(O)=O)C4(C)N\C(=C(C)/C(=N2)C1(C)CC([NH-])=O)C([H])(CCC(O)=O)C4(C)CC(O)=N)\C([H])(CCC(O)=O)C3(C)C
Chemical Taxonomy
ClassificationNot classified
Physical Properties
State:Not Available
Charge:-1
Melting point:Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility0.0131 mg/mLALOGPS
logP1.37ALOGPS
logP-7.4ChemAxon
logS-4.9ALOGPS
pKa (Strongest Acidic)3.32ChemAxon
pKa (Strongest Basic)8.8ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count16ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area313 Å2ChemAxon
Rotatable Bond Count18ChemAxon
Refractivity228.49 m3·mol-1ChemAxon
Polarizability93.17 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability0ChemAxon
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:Not Available
References
References:Not Available
Synthesis Reference:Not Available
Material Safety Data Sheet (MSDS)Not Available
External Links:
ResourceLink
CHEBI ID27937
HMDB IDNot Available
Pubchem Compound ID11953882
Kegg IDC02988
ChemSpider ID10128181
Wikipedia IDNot Available
BioCyc IDNot Available

Enzymes

General function:
Involved in nucleotide binding
Specific function:
ATP + L-histidine + tRNA(His) = AMP + diphosphate + L-histidyl-tRNA(His)
Gene Name:
hisS
Uniprot ID:
P60906
Molecular weight:
47029
Reactions
ATP + L-histidine + tRNA(His) = AMP + diphosphate + L-histidyl-tRNA(His).