<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">124623</id>
  <title nil="true"/>
  <common-name>[D‐Asp3,Dha7]MC‐FR</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>146684725</pubchem-id>
  <chemical-formula>C50H68N10O12</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">2026-04-06T08:29:14Z</created-at>
  <updated-at type="dateTime">2026-05-21T08:38:34Z</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>C50H68N10O12</moldb-formula>
  <moldb-inchi>InChI=1S/C50H68N10O12/c1-28(24-29(2)40(72-6)26-34-16-11-8-12-17-34)19-20-35-30(3)43(63)58-37(48(68)69)21-22-41(61)54-31(4)44(64)55-32(5)45(65)59-38(25-33-14-9-7-10-15-33)47(67)60-39(49(70)71)27-42(62)56-36(46(66)57-35)18-13-23-53-50(51)52/h7-12,14-17,19-20,24,29-30,32,35-40H,4,13,18,21-23,25-27H2,1-3,5-6H3,(H,54,61)(H,55,64)(H,56,62)(H,57,66)(H,58,63)(H,59,65)(H,60,67)(H,68,69)(H,70,71)(H4,51,52,53)/b20-19+,28-24+/t29-,30-,32+,35-,36-,37+,38-,39+,40-/m0/s1</moldb-inchi>
  <moldb-inchikey>NELUXDWVSZSXBG-MCVAKWTKSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1000.501818</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>CHEM120516</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00114471</susdat-id>
  <iupac>(5R,8S,11R,15S,18S,19S,22R)-8-benzyl-15-(3-guanidinopropyl)-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-5,19-dimethyl-2-methylene-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>
