L-Histidyl-tRNA(His) (PAMDB004273)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB004273
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
🔍MOLSDFPDBSMILESInChIView Structure
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
Average Molecular Weight: 936.946
Monoisotopic Molecular Weight: 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[15.2.1.1?,??1?????1??,???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[15.2.1.1?,??1?????1??,???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
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:-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:
Adenosine triphosphate + L-Histidine + tRNA(His) + tRNA(His) <> Adenosine monophosphate + L-Histidyl-tRNA(His) + Pyrophosphate + L-Histidyl-tRNA(His)
Pathways:
Spectra
Spectra:
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