<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">103593</id>
  <title nil="true"/>
  <common-name>Ziconotide</common-name>
  <description nil="true"/>
  <cas>107452-89-1</cas>
  <pubchem-id>16135415</pubchem-id>
  <chemical-formula>C102H172N36O32S7</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">2026-04-05T10:45:57Z</created-at>
  <updated-at type="dateTime">2026-04-14T16:06:17Z</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>DB06283</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>[H]N=C(N([H])[H])N([H])CCC[C@@H]1N([H])C(=O)[C@H](CO)N([H])C(=O)[C@]2([H])CSSC[C@]3([H])N([H])C(=O)[C@H](CO)N([H])C(=O)CN([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(CSSC[C@H](N([H])[H])C(=O)N([H])[C@@H](CCCCN([H])[H])C(=O)N([H])CC(=O)N([H])[C@@H](CCCCN([H])[H])C(=O)N([H])CC(=O)N([H])[C@@H](C)C(=O)N([H])[C@@H](CCCCN([H])[H])C(=O)N2[H])N([H])C(=O)[C@]([H])(CSSC[C@H](N([H])C(=O)[C@H](CCCCN([H])[H])N([H])C(=O)CN([H])C(=O)[C@H](CO)N([H])C(=O)[C@H](CCCN([H])C(=N[H])N([H])[H])N([H])C3=O)C(=O)N([H])[H])N([H])C(=O)[C@H](CC(O)=O)N([H])C(=O)[C@H](CC2=CC=C(O)C=C2)N([H])C(=O)[C@H](CCSC)N([H])C(=O)[C@H](CC(C)C)N([H])C1=O)[C@@H](C)O</moldb-smiles>
  <moldb-formula>C102H172N36O32S7</moldb-formula>
  <moldb-inchi>InChI=1S/C102H172N36O32S7/c1-50(2)34-63-91(161)127-62(26-33-171-5)90(160)129-64(35-53-22-24-54(143)25-23-53)92(162)130-65(36-78(148)149)93(163)135-72-48-175-173-45-69(80(108)150)133-86(156)58(18-8-12-29-105)121-76(146)39-117-85(155)66(41-139)131-88(158)61(21-15-32-114-102(111)112)126-96(166)70-46-176-177-47-71(97(167)132-68(43-141)95(165)125-60(87(157)128-63)20-14-31-113-101(109)110)134-89(159)59(19-9-13-30-106)123-81(151)51(3)119-74(144)37-115-83(153)56(16-6-10-27-103)120-75(145)38-116-84(154)57(17-7-11-28-104)124-82(152)55(107)44-172-174-49-73(137-98(72)168)99(169)138-79(52(4)142)100(170)118-40-77(147)122-67(42-140)94(164)136-70/h22-25,50-52,55-73,79,139-143H,6-21,26-49,103-107H2,1-5H3,(H2,108,150)(H,115,153)(H,116,154)(H,117,155)(H,118,170)(H,119,144)(H,120,145)(H,121,146)(H,122,147)(H,123,151)(H,124,152)(H,125,165)(H,126,166)(H,127,161)(H,128,157)(H,129,160)(H,130,162)(H,131,158)(H,132,167)(H,133,156)(H,134,159)(H,135,163)(H,136,164)(H,137,168)(H,138,169)(H,148,149)(H4,109,110,113)(H4,111,112,114)/t51-,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,79-/m0/s1</moldb-inchi>
  <moldb-inchikey>BPKIMPVREBSLAJ-QTBYCLKRSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">2639.14</moldb-average-mass>
  <moldb-mono-mass type="decimal">2637.098334</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>17291932</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>CHEM099486</chemdb-id>
  <dsstox-id>DTXSID60883174</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00068028</susdat-id>
  <iupac nil="true"/>
</compound>
