<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">129894</id>
  <title nil="true"/>
  <common-name>Polymyxin</common-name>
  <description>Polymyxin belongs to the polypeptides, a class of organic polymers within the organic compounds. It has the chemical formula C48H82N16O14. With an average molecular weight of 1,107 g/mol, Polymyxin is a heavy molecule.</description>
  <cas>1406-11-7</cas>
  <pubchem-id>3083714</pubchem-id>
  <chemical-formula>C48H82N16O14</chemical-formula>
  <weight>1107.3</weight>
  <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">2026-04-06T13:36:47Z</created-at>
  <updated-at type="dateTime">2026-08-22T15:07:04Z</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 nil="true"/>
  <moldb-formula>C48H82N16O14</moldb-formula>
  <moldb-inchi>InChI=1S/C48H82N16O14/c1-24(2)22-34-44(73)57-28(10-16-49)38(67)56-31(13-19-52)42(71)63-36(25(3)65)46(75)54-21-15-33(41(70)55-29(11-17-50)40(69)61-35(45(74)60-34)23-27-8-6-5-7-9-27)58-39(68)30(12-18-51)59-47(76)37(26(4)66)64-43(72)32(14-20-53)62-48(77)78/h5-9,24-26,28-37,62,65-66H,10-23,49-53H2,1-4H3,(H,54,75)(H,55,70)(H,56,67)(H,57,73)(H,58,68)(H,59,76)(H,60,74)(H,61,69)(H,63,71)(H,64,72)(H,77,78)/t25-,26-,28+,29+,30+,31+,32+,33+,34+,35-,36+,37+/m1/s1</moldb-inchi>
  <moldb-inchikey>WGRSQPZAOZIPGC-VVYZPAMCSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1107.3</moldb-average-mass>
  <moldb-mono-mass type="decimal">1106.619641</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-8</logp>
  <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>CHEM125787</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00126296</susdat-id>
  <iupac>[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamic acid</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic Polymers</superklass>
  <klass>Polypeptides</klass>
  <subklass nil="true"/>
  <paper-count type="integer">44960</paper-count>
  <sync-id>CED0001494</sync-id>
  <structure-inchikey nil="true"/>
  <structure-fingerprint nil="true"/>
  <structure-pattern-fingerprint nil="true"/>
  <structure-pickle type="binary" nil="true" encoding="base64"/>
  <structure-indexed-at type="dateTime" nil="true"/>
</compound>
