<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">124815</id>
  <title nil="true"/>
  <common-name>[NMe-Ser7]MC-LA</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>155802417</pubchem-id>
  <chemical-formula>C46H69N7O13</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">2026-04-06T08:41:56Z</created-at>
  <updated-at type="dateTime">2026-05-21T08:58:19Z</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>C46H69N7O13</moldb-formula>
  <moldb-inchi>InChI=1S/C46H69N7O13/c1-24(2)20-34-43(60)52-38(46(64)65)28(6)40(57)47-29(7)41(58)49-32(17-16-25(3)21-26(4)36(66-10)22-31-14-12-11-13-15-31)27(5)39(56)50-33(45(62)63)18-19-37(55)53(9)35(23-54)44(61)48-30(8)42(59)51-34/h11-17,21,24,26-30,32-36,38,54H,18-20,22-23H2,1-10H3,(H,47,57)(H,48,61)(H,49,58)(H,50,56)(H,51,59)(H,52,60)(H,62,63)(H,64,65)/b17-16+,25-21+/t26-,27-,28-,29-,30+,32-,33+,34-,35-,36-,38+/m0/s1</moldb-inchi>
  <moldb-inchikey>XJANOPPLSDSWNH-XEBJKPBESA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">927.4953353</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>CHEM120708</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00114687</susdat-id>
  <iupac>(2S,5R,8S,11R,12S,15S,18S,19S,22R)-2-(hydroxymethyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-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>
