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CHEBI:82809 - agrocin 84

ChEBI IDCHEBI:82809
ChEBI Nameagrocin 84
Stars
DefinitionA nucleotide conjugate that is produced by Agrobacterium radiobacter strain K-84. A 'Trojan horse' antibiotic used to control crown gall.
Last Modified28 August 2014
SubmitterSteve
DownloadsMolfile
FormulaC22H36N6O17P2
Net Charge0
Average Mass718.503
Monoisotopic Mass718.16122
SMILES[H][C@@]1([C@H](O)CO)OC(OP(=O)(O)Nc2ncnc3c2ncn3[C@@H]2O[C@H](COP(=O)(O)NC(=O)[C@@H](O)[C@H](O)C(C)C)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C22H36N6O17P2/c1-7(2)11(31)14(34)20(37)27-46(38,39)42-4-9-12(32)15(35)21(43-9)28-6-25-10-18(23-5-24-19(10)28)26-47(40,41)45-22-16(36)13(33)17(44-22)8(30)3-29/h5-9,11-17,21-22,29-36H,3-4H2,1-2H3,(H2,27,37,38,39)(H2,23,24,26,40,41)/t8-,9-,11-,12-,13-,14+,15-,16-,17+,21-,22?/m1/s1
InChIKeyYNCRAYSPLQSJIP-JHNPATRKSA-N
Species of MetaboliteComponentSourceComments
Agrobacterium radiobacter (ncbitaxon:311403) - PubMed (507786) Strain: K84
Roles Classification
Biological Roles:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
EC 6.1.1.4 (leucine--tRNA ligase) inhibitor  An EC 6.1.1.* (ligases forming aminoacyl tRNA and related compounds) inhibitor that inhibits the action of leucine—tRNA synthetase (EC 6.1.1.4).
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
agrocin 84 (CHEBI:82809) has functional parent D-galactose (CHEBI:12936)
agrocin 84 (CHEBI:82809) has functional parent adenosine 5'-monophosphate (CHEBI:16027)
agrocin 84 (CHEBI:82809) has role antimicrobial agent (CHEBI:33281)
agrocin 84 (CHEBI:82809) has role bacterial metabolite (CHEBI:76969)
agrocin 84 (CHEBI:82809) has role EC 6.1.1.4 (leucine—tRNA ligase) inhibitor (CHEBI:77953)
agrocin 84 (CHEBI:82809) is a monosaccharide derivative (CHEBI:63367)
agrocin 84 (CHEBI:82809) is a nucleotide conjugate (CHEBI:47784)
agrocin 84 (CHEBI:82809) is a phosphoramidate ester (CHEBI:27577)
Synonym  Source
AgrocinChemIDplus
Manual XrefsDatabases
C00018184KNApSAcK
HMDB0030532HMDB
Registry NumbersSources
CAS:59111-78-3ChemIDplus
Citations