CHEBI:82809 - agrocin 84

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name agrocin 84
ChEBI ID CHEBI:82809
Definition A nucleotide conjugate that is produced by Agrobacterium radiobacter strain K-84. A 'Trojan horse' antibiotic used to control crown gall.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H36N6O17P2
Net Charge 0
Average Mass 718.49880
Monoisotopic Mass 718.16122
InChI InChI=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
InChIKey YNCRAYSPLQSJIP-JHNPATRKSA-N
SMILES CC(C)[C@@H](O)[C@H](O)C(=O)NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NP(O)(=O)OC3O[C@@H]([C@H](O)CO)[C@H](O)[C@H]3O)ncnc12
Metabolite of Species Details
Agrobacterium radiobacter (NCBI:txid311403) of strain K84 See: PubMed
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
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 leucinetRNA synthetase (EC 6.1.1.4).
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Agrocin ChemIDplus
Manual Xrefs Databases
C00018184 KNApSAcK
HMDB0030532 HMDB
View more database links
Registry Number Type Source
59111-78-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
1152843 PubMed citation Europe PMC
12549403 PubMed citation Europe PMC
16347881 PubMed citation Europe PMC
16731618 PubMed citation Europe PMC
18944744 PubMed citation Europe PMC
19445596 PubMed citation Europe PMC
23361008 PubMed citation Europe PMC
2442139 PubMed citation Europe PMC
2987991 PubMed citation Europe PMC
507786 PubMed citation Europe PMC
6263633 PubMed citation Europe PMC
6294705 PubMed citation Europe PMC
6444087 PubMed citation Europe PMC
670092 PubMed citation Europe PMC
834287 PubMed citation Europe PMC
984792 PubMed citation Europe PMC
Last Modified
28 August 2014