P. aeruginosa Metabolome Database: L-Histidyl-tRNA(His) (PAMDB004273)

Identification Taxonomy Physical Properties Biological Properties Spectra Concentrations Links References Enzymes Transporters

Proteins (3280)

Record Information

Version

1.0

Update Date

1/22/2018 12:54:54 PM

Metabolite ID

PAMDB004273

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

🔍MOL SDF PDB SMILES InChI View 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:

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 Description

Not Available

Kingdom

Not Available

Super Class

Not Available

Class

Not Available

Sub Class

Not 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:

Property	Value	Source

Predicted Properties

Property	Value	Source
Water Solubility	0.0131 mg/mL	ALOGPS
logP	1.37	ALOGPS
logP	-7.4	ChemAxon
logS	-4.9	ALOGPS
pKa (Strongest Acidic)	3.32	ChemAxon
pKa (Strongest Basic)	8.8	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	313 Å²	ChemAxon
Rotatable Bond Count	18	ChemAxon
Refractivity	228.49 m³·mol^-1	ChemAxon
Polarizability	93.17 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	0	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	Yes	ChemAxon

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:

Aminoacyl-tRNA biosynthesis pae00970

Spectra

Spectra:

References

References:

Not Available

Synthesis Reference:

Not Available

Material Safety Data Sheet (MSDS)

Not Available

Links

External Links:

Resource	Link
CHEBI ID	27937
HMDB ID	Not Available
Pubchem Compound ID	11953882
Kegg ID	C02988
ChemSpider ID	10128181
Wikipedia ID	Not Available
BioCyc ID	Not Available

L-Histidyl-tRNA(His) (PAMDB004273)

Structure for L-Histidyl-tRNA(His) (PAMDB004273)