<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">46739</id>
  <title nil="true"/>
  <common-name>garamicidin D</common-name>
  <description nil="true"/>
  <cas>1405-97-6</cas>
  <pubchem-id>16130140</pubchem-id>
  <chemical-formula>C99H140N20O17</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">2016-06-03T13:32:13Z</created-at>
  <updated-at type="dateTime">2026-03-27T01:45:57Z</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>[H][C@@](C)(N=C(O)CN=C(O)[C@@]([H])(N=CO)C(C)C)C(O)=N[C@]([H])(CC(C)C)C(O)=N[C@@]([H])(C)C(O)=N[C@]([H])(C(C)C)C(O)=N[C@@]([H])(C(C)C)C(O)=N[C@@]([H])(C(C)C)C(O)=N[C@@]([H])(CC1=CNC2=CC=CC=C12)C(O)=N[C@]([H])(CC(C)C)C(O)=N[C@@]([H])(CC1=CNC2=CC=CC=C12)C(O)=N[C@]([H])(CC(C)C)C(O)=N[C@@]([H])(CC1=CNC2=CC=CC=C12)C(O)=N[C@]([H])(CC(C)C)C(O)=N[C@@]([H])(CC1=CNC2=CC=CC=C12)C(O)=NCCO</moldb-smiles>
  <moldb-formula>C99H140N20O17</moldb-formula>
  <moldb-inchi>InChI=1S/C99H140N20O17/c1-51(2)37-73(109-86(123)59(17)107-81(122)49-105-96(133)82(55(9)10)106-50-121)89(126)108-60(18)87(124)117-84(57(13)14)98(135)119-85(58(15)16)99(136)118-83(56(11)12)97(134)116-80(44-64-48-104-72-34-26-22-30-68(64)72)95(132)112-76(40-54(7)8)92(129)115-79(43-63-47-103-71-33-25-21-29-67(63)71)94(131)111-75(39-53(5)6)91(128)114-78(42-62-46-102-70-32-24-20-28-66(62)70)93(130)110-74(38-52(3)4)90(127)113-77(88(125)100-35-36-120)41-61-45-101-69-31-23-19-27-65(61)69/h19-34,45-48,50-60,73-80,82-85,101-104,120H,35-44,49H2,1-18H3,(H,100,125)(H,105,133)(H,106,121)(H,107,122)(H,108,126)(H,109,123)(H,110,130)(H,111,131)(H,112,132)(H,113,127)(H,114,128)(H,115,129)(H,116,134)(H,117,124)(H,118,136)(H,119,135)/t59-,60-,73+,74+,75+,76+,77-,78-,79-,80-,82-,83-,84+,85-/m0/s1</moldb-inchi>
  <moldb-inchikey>ZWCXYZRRTRDGQE-SORVKSEFSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1882.332</moldb-average-mass>
  <moldb-mono-mass type="decimal">1881.070533128</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>17286916</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>CHEM045634</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>UBA</stoff-ident-origin>
  <stoff-ident-id>SI00008608</stoff-ident-id>
  <susdat-id>NS00007678</susdat-id>
  <iupac>(2R)-2-{[(2S)-1-hydroxy-2-{[(2R)-1-hydroxy-2-{[(2S)-1-hydroxy-2-{[(2R)-1-hydroxy-2-{[(2S)-1-hydroxy-2-{[(2S)-1-hydroxy-2-{[(2S)-1-hydroxy-2-{[(2R)-1-hydroxy-2-{[(2S)-1-hydroxy-2-{[(2R)-1-hydroxy-2-{[(2S)-1-hydroxy-2-[(1-hydroxy-2-{[(2S)-1-hydroxy-2-[(hydroxymethylidene)amino]-3-methylbutylidene]amino}ethylidene)amino]propylidene]amino}-4-methylpentylidene]amino}propylidene]amino}-3-methylbutylidene]amino}-3-methylbutylidene]amino}-3-methylbutylidene]amino}-3-(1H-indol-3-yl)propylidene]amino}-4-methylpentylidene]amino}-3-(1H-indol-3-yl)propylidene]amino}-4-methylpentylidene]amino}-3-(1H-indol-3-yl)propylidene]amino}-N-[(1S)-1-[(2-hydroxyethyl)-C-hydroxycarbonimidoyl]-2-(1H-indol-3-yl)ethyl]-4-methylpentanimidic acid</iupac>
</compound>
