<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">19368</id>
  <title nil="true"/>
  <common-name>Colistin sulfate</common-name>
  <description nil="true"/>
  <cas>1264-72-8</cas>
  <pubchem-id>483925170</pubchem-id>
  <chemical-formula>C53H102N16O17S</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">2016-05-22T05:06:30Z</created-at>
  <updated-at type="dateTime">2026-04-05T17:24:13Z</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 nil="true"/>
  <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>OS(O)(=O)=O.[H][C@](C)(CC)CCCCC(O)=N[C@@]([H])(CCN)C(O)=N[C@]([H])(C(O)=N[C@@]([H])(CCN)C(O)=N[C@@]1([H])CCN=C(O)[C@]([H])(N=C(O)[C@]([H])(CCN)N=C(O)[C@]([H])(CCN)N=C(O)[C@]([H])(CC(C)C)N=C(O)[C@@]([H])(CC(C)C)N=C(O)[C@]([H])(CCN)N=C1O)[C@]([H])(C)O)[C@@]([H])(C)O</moldb-smiles>
  <moldb-formula>C53H102N16O17S</moldb-formula>
  <moldb-inchi>InChI=1S/C53H100N16O13.H2O4S/c1-9-30(6)12-10-11-13-41(72)60-33(14-20-54)48(77)69-43(32(8)71)53(82)65-36(17-23-57)45(74)64-38-19-25-59-52(81)42(31(7)70)68-49(78)37(18-24-58)62-44(73)34(15-21-55)63-50(79)39(26-28(2)3)67-51(80)40(27-29(4)5)66-46(75)35(16-22-56)61-47(38)76;1-5(2,3)4/h28-40,42-43,70-71H,9-27,54-58H2,1-8H3,(H,59,81)(H,60,72)(H,61,76)(H,62,73)(H,63,79)(H,64,74)(H,65,82)(H,66,75)(H,67,80)(H,68,78)(H,69,77);(H2,1,2,3,4)/t30-,31-,32+,33-,34-,35-,36-,37-,38-,39-,40+,42+,43-;/m0./s1</moldb-inchi>
  <moldb-inchikey>ZJIWRHLZXQPFAD-UIVINLTNSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1267.55</moldb-average-mass>
  <moldb-mono-mass type="decimal">1266.732957062</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM018263</chemdb-id>
  <dsstox-id>DTXSID3045352</dsstox-id>
  <toxcast-id>45352</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00078796</susdat-id>
  <iupac>(6S)-N-[(1S)-3-amino-1-{[(1S,2R)-1-{[(1S)-3-amino-1-{[(3R,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-2,5,8,11,14,17,20-heptahydroxy-3-[(1S)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclotricosa-1,4,7,10,13,16,19-heptaen-21-yl]-C-hydroxycarbonimidoyl}propyl]-C-hydroxycarbonimidoyl}-2-hydroxypropyl]-C-hydroxycarbonimidoyl}propyl]-6-methyloctanimidic acid; sulfuric acid</iupac>
</compound>
