<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">17665</id>
  <title nil="true"/>
  <common-name>Amikacin</common-name>
  <description nil="true"/>
  <cas>37517-28-5</cas>
  <pubchem-id>37768</pubchem-id>
  <chemical-formula>C22H43N5O13</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2016-05-22T03:37:03Z</created-at>
  <updated-at type="dateTime">2026-05-14T16:40:01Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB00479</drugbank-id>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O</moldb-smiles>
  <moldb-formula>C22H43N5O13</moldb-formula>
  <moldb-inchi>InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1</moldb-inchi>
  <moldb-inchikey>LKCWBDHBTVXHDL-RMDFUYIESA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">585.6025</moldb-average-mass>
  <moldb-mono-mass type="decimal">585.285736487</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-8.6</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>34635</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM016560</chemdb-id>
  <dsstox-id>DTXSID3022586</dsstox-id>
  <toxcast-id>22586</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00006181</susdat-id>
  <iupac>(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-{[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide</iupac>
  <moldb-polar-surface-area>331.93999999999994</moldb-polar-surface-area>
  <moldb-refractivity>129.84099999999992</moldb-refractivity>
  <moldb-polarizability>58.19838164009131</moldb-polarizability>
  <moldb-rotatable-bond-count>10</moldb-rotatable-bond-count>
  <moldb-acceptor-count>17</moldb-acceptor-count>
  <moldb-donor-count>13</moldb-donor-count>
  <moldb-pka-strongest-acidic>12.104233562206012</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>9.794402745081491</moldb-pka-strongest-basic>
  <moldb-physiological-charge>4</moldb-physiological-charge>
  <moldb-number-of-rings>3</moldb-number-of-rings>
  <moldb-alogps-logp>-3.22</moldb-alogps-logp>
  <moldb-alogps-logs>-1.07</moldb-alogps-logs>
  <moldb-alogps-solubility>4.97e+01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbohydrates and carbohydrate conjugates</subklass>
  <paper-count type="integer">50502</paper-count>
  <sync-id>CED0001414</sync-id>
</compound>
