<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">7564</id>
  <title nil="true"/>
  <common-name>L-METHIONYLGLYCINE</common-name>
  <description nil="true"/>
  <cas>14486-03-4</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C7H14N2O3S</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">2016-05-19T02:14:01Z</created-at>
  <updated-at type="dateTime">2026-04-05T01:43:38Z</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@](N)(CCSC)C(O)=NCC(O)=O</moldb-smiles>
  <moldb-formula>C7H14N2O3S</moldb-formula>
  <moldb-inchi>InChI=1S/C7H14N2O3S/c1-13-3-2-5(8)7(12)9-4-6(10)11/h5H,2-4,8H2,1H3,(H,9,12)(H,10,11)/t5-/m0/s1</moldb-inchi>
  <moldb-inchikey>QXOHLNCNYLGICT-YFKPBYRVSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">206.26</moldb-average-mass>
  <moldb-mono-mass type="decimal">206.072513493</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>CHEM006459</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00054161</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>95.91</moldb-polar-surface-area>
  <moldb-refractivity>50.9112</moldb-refractivity>
  <moldb-polarizability>21.338940614138444</moldb-polarizability>
  <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count>
  <moldb-acceptor-count>5</moldb-acceptor-count>
  <moldb-donor-count>3</moldb-donor-count>
  <moldb-pka-strongest-acidic>3.4481014747473964</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>9.589115098282369</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>-1.97</moldb-alogps-logp>
  <moldb-alogps-logs>-1.90</moldb-alogps-logs>
  <moldb-alogps-solubility>2.60e+00 g/l</moldb-alogps-solubility>
</compound>
