<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">95391</id>
  <title nil="true"/>
  <common-name>N2-[(vinyloxy)carbonyl]-L-asparagine</common-name>
  <description>N2-[(vinyloxy)carbonyl]-L-asparagine belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the formula C7H10N2O5 and an average molecular weight of 202.17 g/mol. This compound is further classified within the superclass of organic acids and derivatives.</description>
  <cas>39897-15-9</cas>
  <pubchem-id>56842372</pubchem-id>
  <chemical-formula>C7H10N2O5</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">2026-04-05T03:20:37Z</created-at>
  <updated-at type="dateTime">2026-04-05T03:20:37Z</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>[H][C@@](CC(O)=N)(N=C(O)OC=C)C(O)=O</moldb-smiles>
  <moldb-formula>C7H10N2O5</moldb-formula>
  <moldb-inchi>InChI=1/C7H10N2O5/c1-2-14-7(13)9-4(6(11)12)3-5(8)10/h2,4H,1,3H2,(H2,8,10)(H,9,13)(H,11,12)</moldb-inchi>
  <moldb-inchikey>BMSCCLGRZMGNFN-BYPYZUCNSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">202.166</moldb-average-mass>
  <moldb-mono-mass type="decimal">202.0589714</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>CHEM091284</chemdb-id>
  <dsstox-id>DTXSID00960438</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00057360</susdat-id>
  <iupac nil="true"/>
  <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>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0146764</sync-id>
  <structure-inchikey>BMSCCLGRZMGNFN-BYPYZUCNSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000020800800000000010000000000000000000000000000000000000000000080000000000004000004000000000000000000000000000000000001000000000000000000000100000020000000000700000004000000000000000000010000000010000000000000020000000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000002000020000000000000200000000000000080000000000000010000000000000000000000800000000000000040000000000000000000000000000000000000000000000000800000000000000000400000000010000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�����������������������€�� 4��������`�������(�������h��������h��������(�������(�������h��������(�������h��������h��������(�������h��������(�������������� ��(������(��� �� �	 	
(������ �(�B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:36:22Z</structure-indexed-at>
</compound>
