<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">359704</id>
  <title nil="true"/>
  <common-name>[phosphonomethyl(prop-2-enyl)amino]methylphosphonic acid</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>4297291</pubchem-id>
  <chemical-formula>C5H13NO6P2</chemical-formula>
  <weight>245.11</weight>
  <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">2026-09-01T07:55:18Z</created-at>
  <updated-at type="dateTime">2026-09-01T07:55:18Z</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>C=CCN(CP(=O)(O)O)CP(=O)(O)O</moldb-smiles>
  <moldb-formula>C5H13NO6P2</moldb-formula>
  <moldb-inchi>InChI=1S/C5H13NO6P2/c1-2-3-6(4-13(7,8)9)5-14(10,11)12/h2H,1,3-5H2,(H2,7,8,9)(H2,10,11,12)</moldb-inchi>
  <moldb-inchikey>BZIDMYLHMFSOPQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">245.0218111</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-4.8</logp>
  <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>CHEM355597</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>[phosphonomethyl(prop-2-enyl)amino]methylphosphonic 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"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Organic phosphonic acids and derivatives</klass>
  <subklass>Organic phosphonic acids</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0309905</sync-id>
  <structure-inchikey>BZIDMYLHMFSOPQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000080000000000000100000000000000000000000000000000000000000000000040000000002000000000000000000000000000000000000000020000000000200000000000000000000000000010000000000000000004000000000000008000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000420000000200000000000000000000000000000000000000000000000004000000000000040400040000000000000000000000000000000000000001000000020000000000000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�����������������������€���h��������h��������`������� ������`������� ������(�������`�������`�������`������� ������(�������`�������`���������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:57:12Z</structure-indexed-at>
</compound>
