<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">124722</id>
  <title nil="true"/>
  <common-name>[D-Asp³,Mser7]MC‐RY</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>155802145</pubchem-id>
  <chemical-formula>C51H72N10O14</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">2026-04-06T08:35:58Z</created-at>
  <updated-at type="dateTime">2026-05-21T08:46:55Z</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>C51H72N10O14</moldb-formula>
  <moldb-inchi>InChI=1S/C51H72N10O14/c1-28(23-29(2)41(75-6)25-32-11-8-7-9-12-32)14-19-35-30(3)44(66)59-37(49(71)72)20-21-43(65)61(5)40(27-62)48(70)55-31(4)45(67)58-36(13-10-22-54-51(52)53)46(68)60-39(50(73)74)26-42(64)56-38(47(69)57-35)24-33-15-17-34(63)18-16-33/h7-9,11-12,14-19,23,29-31,35-41,62-63H,10,13,20-22,24-27H2,1-6H3,(H,55,70)(H,56,64)(H,57,69)(H,58,67)(H,59,66)(H,60,68)(H,71,72)(H,73,74)(H4,52,53,54)/b19-14+,28-23+/t29-,30-,31+,35-,36-,37+,38-,39+,40-,41-/m0/s1</moldb-inchi>
  <moldb-inchikey>JXIGYFDYIBIRMX-VODXBEFOSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1048.522947</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>CHEM120615</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00114583</susdat-id>
  <iupac>8-(3-((diaminomethylene)amino)propyl)-15-(4-hydroxybenzyl)-2-(hydroxymethyl)-18-((1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,19-trimethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic 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"/>
</compound>
